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| {{Use dmy dates|date=June 2013}}
| | Wilber Berryhill is what his spouse loves to call him and he completely loves this name. As a lady what she truly likes is style and she's been performing it for fairly a while. Distributing production has been his profession for some time. My wife and I reside in Mississippi and I love every day living here.<br><br>Here is my blog post ... [http://Myoceancounty.net/groups/apply-these-guidelines-when-gardening-and-grow/ psychic readers] |
| <!-- To obtain a blank version of this page, type subst:chembox supplement inside of double curly braces, {{}}, and save the page -->
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| This page provides supplementary chemical data on [[acetonitrile]]. <!-- replace with proper wikilink -->
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| == Material Safety Data Sheet == <!-- KEEP this header, it is linked to from the infobox on the main article page -->
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| The handling of this chemical may incur notable safety precautions. It is highly recommend that you seek the Material Safety Datasheet ([[Material safety data sheet|MSDS]]) for this chemical from a reliable source and follow its directions.
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| * [http://www.sciencestuff.com/msds/C1147.html Science Stuff]
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| * [http://www2.siri.org/msds/index.php SIRI]
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| * [https://fscimage.fishersci.com/msds/00170.htm Fisher Scientific].
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| == Structure and properties == <!-- KEEP this header, it is linked to from the infobox on the main article page -->
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| {| border="1" cellspacing="0" cellpadding="3" style="margin: 0 0 0 0.5em; background: #FFFFFF; border-collapse: collapse; border-color: #C0C090;"
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| ! {{chembox header}} | Structure and properties
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| |-
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| | [[Index of refraction]], ''n''<sub>D</sub>
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| | 1.3460 at 16.5°C <!-- Please omit if not applicable -->
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| |-
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| | [[Abbe number]]
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| |? <!-- Please omit if not applicable -->
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| |-
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| | [[Dielectric constant]], ε<sub>r</sub>
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| | 37.5 ε<sub>0</sub> at 20 °C <!-- Please omit if not applicable --><!-- <p>ε/ε<sub>0</sub> = 37.5 - 16(T - 20°C)<p align="center><p>15°C - 25°C -->
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| |-
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| |-
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| | [[Bond dipole moment|Dipole Moment]],
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| | 3.84 D <!-- Please omit if not applicable -->
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| |-
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| | [[Bond strength]]
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| | ? <!-- Specify which bond. Please omit if not applicable -->
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| |-
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| | [[Bond length]]
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| | ? <!-- Specify which bond. Please omit if not applicable -->
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| |-
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| | [[Bond angle]]
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| | ? <!-- Specify which angle, e.g. Cl-P-O. Please omit if not applicable -->
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| |-
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| | [[Magnetic susceptibility]]
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| | ? <!-- Please omit if not applicable -->
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| |-
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| | [[Viscosity]]<ref name="cheric_p">{{Cite web|url=http://www.cheric.org/research/kdb/hcprop/cmpsrch.php|title=Pure Component Properties|format=Queriable database|publisher=Chemical Engineering Research Information Center|accessdate=15 May 2007| archiveurl= http://web.archive.org/web/20070603180431/http://www.cheric.org/research/kdb/hcprop/cmpsrch.php| archivedate= 3 June 2007 <!--DASHBot-->| deadurl= no}}</ref>
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| | 0.441 mPa·s at 0°C<br>0.343 mPa·s at 25°C
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| |-
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| | [[Surface tension]]<ref name="cheric_p"/>
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| | 29.29 dyn/cm
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| |-
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| |}
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| == Thermodynamic properties == <!-- KEEP this header, it is linked to from the infobox on the main article page -->
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| {| border="1" cellspacing="0" cellpadding="6" style="margin: 0 0 0 0.5em; background: #FFFFFF; border-collapse: collapse; border-color: #C0C090;"
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| ! {{chembox header}} | Phase behavior
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| | [[Triple point]]<ref>Vapor Pressures of Acetonitrile Determined by Comparative Ebulliometry, Michael B. Ewing* and Jesus C. Sanchez Ochoa, Journal of Chemical & Engineering Data 2004 49 (3), 486-491</ref>
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| | 229.32 K (–43.83 °C), 167 Pa
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| |-
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| | [[Critical point (chemistry)|Critical point]]
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| | 545 K (272 °C), 4.87 MPa
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| |-
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| | [[Standard enthalpy change of fusion|Std enthalpy change<br/>of fusion]], Δ<sub>fus</sub>''H''<sup><s>o</s></sup>
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| | 8.167 kJ/mol (crystal I → liq)
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| |-
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| | [[Standard entropy change of fusion|Std entropy change<br/>of fusion]], Δ<sub>fus</sub>''S''<sup><s>o</s></sup>
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| | 35.61 J/(mol·K) (crystal I → liq)
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| |-
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| | [[Standard enthalpy change of vaporization|Std enthalpy change<br/>of vaporization]], Δ<sub>vap</sub>''H''<sup><s>o</s></sup>
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| | 33.225 kJ/mol at 25°C<br>29.75 at 81.6°C (BP)
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| |-
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| | [[Standard entropy change of vaporization|Std entropy change<br/>of vaporization]], Δ<sub>vap</sub>''S''<sup><s>o</s></sup>
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| | 111.44 J/(mol·K) at 25°C
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| |-
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| ! {{chembox header}} | Solid properties
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| | [[Standard enthalpy change of formation|Std enthalpy change<br/>of formation]], Δ<sub>f</sub>''H''<sup><s>o</s></sup><sub>solid</sub>
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| | ? kJ/mol at 25°C
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| |-
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| | [[Standard molar entropy]],<br/>''S''<sup><s>o</s></sup><sub>solid</sub>
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| | ? J/(mol K)
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| |-
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| | [[Heat capacity]], ''c<sub>p</sub>''
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| | 92.36 J/(mol K)at 298.15 K
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| |-
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| | [[Standard enthalpy change of transition|Std enthalpy change<br/>of state transition]], Δ<sub>trs</sub>''H''<sup><s>o</s></sup>
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| | 0.8979 kJ/mol at –56.2°C<br>(crystal II → crystal I)
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| |-
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| | [[Standard entropy change of transition|Std entropy change<br/>of state transition]], Δ<sub>trs</sub>''S''<sup><s>o</s></sup>
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| | 4.14 J/(mol·K) at –56.2°<br>(crystal II → crystal I)
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| |-
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| ! {{chembox header}} | Liquid properties
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| | [[Standard enthalpy change of formation|Std enthalpy change<br/>of formation]], Δ<sub>f</sub>''H''<sup><s>o</s></sup><sub>liquid</sub>
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| | –40.56 kJ/mol
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| |-
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| | [[Standard molar entropy]],<br/>''S''<sup><s>o</s></sup><sub>liquid</sub>
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| | 149.62 J/(mol K)
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| |-
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| | [[Enthalpy of combustion]], Δ<sub>c</sub>''H''<sup><s>o</s></sup>
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| | –1256.33 kJ/mol
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| |-
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| | [[Heat capacity]], ''c<sub>p</sub>''
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| | 91.7 J/(mol K) at 25°C
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| ! {{chembox header}} | Gas properties
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| | [[Standard enthalpy change of formation|Std enthalpy change<br/>of formation]], Δ<sub>f</sub>''H''<sup><s>o</s></sup><sub>gas</sub>
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| | –74.04 kJ/mol
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| |-
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| | [[Standard molar entropy]],<br/>''S''<sup><s>o</s></sup><sub>gas</sub>
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| | ? J/(mol K)
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| | [[Heat capacity]], ''c<sub>p</sub>''
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| | ? J/(mol K)
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| |-
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| |}
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| ==Vapor pressure of liquid==
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| {| border="1" cellspacing="0" cellpadding="6" style="margin: 0 0 0 0.5em; background: white; border-collapse: collapse; border-color: #C0C090;"
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| | {{chembox header}} | '''P in mm Hg''' || 1 || 10 || 40 || 100 || 400 || 760
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| | {{chembox header}} | '''T in °C''' || –47.0<sub>(s)</sub> || –16.3 || 7.7 || 27.0 || 62.5 || 81.8
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| |}
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| Table data obtained from ''CRC Handbook of Chemistry and Physics'', 44th ed. The "(s)" notation indicates temperature of solid/vapor equilibrium. Otherwise the data is temperature of liquid/vapor equilibrium.
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| [[Image:LogAcetonitrileVaporPressure.png|thumb|808px|left|'''log<sub>10</sub> of Acetonitrile vapor pressure.''' Uses formula <math>\scriptstyle \log_e P_{mmHg} =</math><math>\scriptstyle \log_e (\frac {760} {101.325}) - 3.881710 \log_e(T+273.15) - \frac {4999.618} {T+273.15} + 41.05901 + 3.515956 \times 10^{-06} (T+273.15)^2</math> obtained from CHERIC<ref name="cheric_p"/>]]{{Clear}}
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| ==Distillation data==
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| {|
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| {| border="1" cellspacing="0" cellpadding="6" style="margin: 0 0 0 0.5em; background: white; border-collapse: collapse; border-color: #C0C090;"
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| | bgcolor="#D0D0D0" align="center" colspan="3" | '''Vapor-liquid Equilibrium for Acetonitrile/Water'''<ref name="cheric">{{Cite web|url=http://www.cheric.org/research/kdb/hcvle/hcvle.php|title=Binary Vapor-Liquid Equilibrium Data|publisher=Chemical Engineering Research Information Center|format=Queriable database|accessdate=15 May 2007}}</ref><br>''P'' = 760 mmHg
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| |- {{chembox header}}
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| ! rowspan="2" | BP<br>Temp.<br>°C
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| ! colspan="2" | % by mole acetonitrile
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| |- {{chembox header}}
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| ! liquid !! vapor
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| |-
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| | 86.5 || 2.9 || 26.3
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| |-
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| | 81.1 || 9.3 || 50.5
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| | 80.0 || 14.2 || 55.9
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| | 78.6 || 25.4 || 61.7
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| | 77.4 || 40.2 || 65.5
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| | 76.7 || 50.7 || 66.4
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| | 76.6 || 52.7 || 67.3
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| |-
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| | 76.0 || 71.8 || 72.8
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| |-
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| | 76.6 || 83.9 || 78.0
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| |-
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| | 76.8 || 85.6 || 76.1
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| |-
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| | 80.4 || 98.6 || 94.5
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| |}
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| {| border="1" cellspacing="0" cellpadding="6" style="margin: 0 0 0 0.5em; background: white; border-collapse: collapse; border-color: #C0C090;"
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| | bgcolor="#D0D0D0" align="center" colspan="3" | '''Vapor-liquid Equilibrium for Acetonitrile/[[Methanol]]'''<ref name="cheric"/><br>''P'' = 760 mmHg
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| |- {{chembox header}}
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| ! rowspan="2" | BP<br>Temp.<br>°C
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| ! colspan="2" | % by mole methanol
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| |- {{chembox header}}
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| ! liquid !! vapor
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| |-
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| | 79.20 || 2.5 || 9.5
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| |-
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| | 77.95 || 4.0 || 13.5
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| | 76.77 || 5.5 || 17.5
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| | 75.12 || 9.7 || 26.5
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| | 73.12 || 14.0 || 33.0
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| | 72.07 || 17.0 || 37.5
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| | 70.96 || 20.0 || 420
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| | 68.85 || 24.7 || 45.5
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| | 68.39 || 28.9 || 50.5
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| | 66.00 || 41.5 || 59.5
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| | 65.35 || 47.0 || 62.5
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| | 64.75 || 54.5 || 65.5
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| | 64.34 || 63.0 || 71.5
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| | 64.03 || 69.0 || 74.5
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| | 63.80 || 74.5 || 78.9
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| | 63.77 || 82.5 || 82.5
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| | 63.76 || 86.0 || 86.0
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| | 63.87 || 90.0 || 88.0
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| | 64.05 || 93.0 || 91.5
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| | 64.18 || 95.0 || 93.0
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| | 64.40 || 97.0 || 95.5
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| |}
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| {| border="1" cellspacing="0" cellpadding="6" style="margin: 0 0 0 0.5em; background: white; border-collapse: collapse; border-color: #C0C090;"
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| | bgcolor="#D0D0D0" align="center" colspan="3" | '''Vapor-liquid Equilibrium for Acetonitrile/[[Benzene]]'''<ref name="cheric"/><br>''P'' = 760 mmHg
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| |- {{chembox header}}
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| ! rowspan="2" | BP<br>Temp.<br>°C
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| ! colspan="2" | % by mole benzene
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| |- {{chembox header}}
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| ! liquid !! vapor
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| |-
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| | 80.6 || 2.0 || 4.8
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| | 80.4 || 2.7 || 6.2
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| | 79.0 || 5.6 || 12.5
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| | 78.5 || 6.5 || 14.7
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| | 78.0 || 7.7 || 16.5
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| | 76.0 || 17.6 || 29.3
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| | 74.9 || 24.2 || 35.5
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| | 74.4 || 29.9 || 39.3
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| | 73.8 || 37.1 || 43.8
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| | 73.7 || 38.0 || 44.9
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| | 73.4 || 44.0 || 48.5
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| | 73.2 || 51.3 || 51.9
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| | 73.0 || 52.94 || 52.94
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| | 73.2 || 58.1 || 54.5
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| | 73.4 || 66.5 || 60.0
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| | 73.8 || 71.3 || 62.6
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| | 74.0 || 76.7 || 65.7
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| | 74.4 || 79.0 || 68.0
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| | 76.3 || 92.0 || 80.1
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| |}
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| {| border="1" cellspacing="0" cellpadding="6" style="margin: 0 0 0 0.5em; background: white; border-collapse: collapse; border-color: #C0C090;"
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| | bgcolor="#D0D0D0" align="center" colspan="3" | '''Vapor-liquid Equilibrium for Acetonitrile/[[Toluene]]'''<ref name="cheric"/><br>''P'' = 760 mmHg
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| |- {{chembox header}}
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| ! rowspan="2" | BP<br>Temp.<br>°C
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| ! colspan="2" | % by mole toluene
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| |- {{chembox header}}
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| ! liquid !! vapor
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| |-
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| | 81.5 || 3.3 || 5.1
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| |-
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| | 81.4 || 6.9 || 8.1
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| | 81.1 || 12.18 || 12.18
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| |-
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| | 81.3 || 18.2 || 15.4
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| | 81.4 || 22.1 || 17.2
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| |-
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| | 81.8 || 28.4 || 19.5
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| | 82.7 || 37.5 || 23.0
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| | 84.4 || 53.3 || 28.4
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| | 85.6 || 60.5 || 31.5
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| | 91.1 || 78.5 || 41.7
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| | 93.4 || 84.0 || 47.3
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| | 95.6 || 87.6 || 52.6
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| | 101.2 || 92.9 || 66.5
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| |-
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| | 103.6 || 95.6 || 73.8
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| | 106.7 || 97.7 || 83.6
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| | 107.5 || 98.2 || 85.4
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| |}
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| {{Clear}}
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| == Spectral data == <!-- KEEP this header, it is linked to from the infobox on the main article page -->
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| {| border="1" cellspacing="0" cellpadding="3" style="margin: 0 0 0 0.5em; background: #FFFFFF; border-collapse: collapse; border-color: #C0C090;"
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| ! {{chembox header}} | [[UV/VIS spectroscopy|UV-Vis]]
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| | [[Lambda-max|λ<sub>max</sub>]]
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| | ? [[Nanometre|nm]]
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| | [[molar absorptivity|Extinction coefficient]], ε
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| | ?
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| ! {{chembox header}} | [[Infrared|IR]]
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| | Major absorption bands<ref name="aist">{{Cite web|url=http://www.aist.go.jp/RIODB/SDBS/cgi-bin/cre_index.cgi|title=Spectral Database for Organic Compounds|publisher=Advanced Industrial Science and Technology|format=Queriable database|accessdate=7 June 2007}}</ref>
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| {|
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| | colspan="2" align="center" | (liquid film)
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| ! Wave number !! transmittance
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| |-
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| | 3675 cm<sup>−1</sup> || 79%
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| |-
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| | 3544 cm<sup>−1</sup> || 81%
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| |-
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| | 3202 cm<sup>−1</sup> || 77%
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| |-
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| | 3164 cm<sup>−1</sup> || 60%
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| |-
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| | 3003 cm<sup>−1</sup> || 52%
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| |-
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| | 2944 cm<sup>−1</sup> || 52%
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| |-
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| | 2629 cm<sup>−1</sup> || 81%
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| |-
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| | 2410 cm<sup>−1</sup> || 81%
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| |-
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| | 2293 cm<sup>−1</sup> || 44%
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| |-
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| | 2254 cm<sup>−1</sup> || 4%
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| |-
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| | 1445 cm<sup>−1</sup> || 30%
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| |-
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| | 1378 cm<sup>−1</sup> || 25%
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| |-
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| | 1181 cm<sup>−1</sup> || 84%
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| |-
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| | 1040 cm<sup>−1</sup> || 43%
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| |-
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| | 918 cm<sup>−1</sup> || 47%
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| |-
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| | 750 cm<sup>−1</sup> || 70%
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| |}
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| |-
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| ! {{chembox header}} | [[NMR Spectroscopy|NMR]]
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| | [[Proton NMR]] <!-- Link to image of spectrum -->
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| |-
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| | [[Carbon-13 NMR]] <!-- Link to image of spectrum -->
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| |-
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| | Other NMR data <!-- Insert special data e.g. <sup>19</sup>F chem. shifts, omit if not used -->
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| ! {{chembox header}} | [[Mass Spectrometry|MS]]
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| |-
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| | Masses of <br>main fragments
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| | <!-- Give list of major fragments -->
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| |-
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| |}
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| ==References==
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| <references/>
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| * {{Cite web|url=http://webbook.nist.gov/chemistry/|title=NIST Standard Reference Database|accessdate=15 May 2007| archiveurl= http://web.archive.org/web/20070523013553/http://webbook.nist.gov/chemistry/| archivedate= 23 May 2007 <!--DASHBot-->| deadurl= no}}
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| Except where noted otherwise, data relate to [[standard ambient temperature and pressure]].
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| [[wikipedia:Chemical infobox|Disclaimer]] applies.
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| {{DEFAULTSORT:Acetonitrile (Data Page)}}
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| [[Category:Chemical data pages]]
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