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<!-- To obtain a blank version of this page, type <nowiki>{{chembox supplement}}</nowiki> and save the page -->
This page provides supplementary chemical data on [[acetone]].


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== Material Safety Data Sheet == <!-- KEEP this header, it is linked to from the infobox on the main article page -->


== Wayfarers Ray Ban ==
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.
*[http://hazard.com/msds/mf/baker/baker/files/a0446.htm Mallinckrodt Baker]
*[http://www.sciencestuff.com/msds/C1142.html Science Stuff]


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== Structure and properties == <!-- KEEP this header, it is linked to from the infobox on the main article page -->
 
{| border="1" cellspacing="0" cellpadding="3" style="margin: 0 0 0 0.5em; background: #FFFFFF; border-collapse: collapse; border-color: #C0C090;"
! {{chembox header}} | Structure and properties
|-
| [[Index of refraction]], ''n''<sub>D</sub>
| 1.3561
|-
| [[Dielectric constant]], ε<sub>r</sub>
| 20.7 ε<sub>0</sub> at 25°C
|-
| [[Bond strength (chemistry)|Bond strength]]
| ? <!-- Specify which bond. Please omit if not applicable -->
|-
| [[Bond length]]
| ? <!-- Specify which bond. Please omit if not applicable -->
|-
| [[Bond angle]]
| ? <!-- Specify which angle, e.g. Cl-P-O. Please omit if not applicable -->
|-
| [[Magnetic susceptibility]]
| ? <!-- Please omit if not applicable -->
|-
| [[Surface tension]]
| 26.2 dyn/cm at 0°<br>23.7 dyn/cm at 20°C
|-
| [[Viscosity]]<ref>''Lange's Handbook of Chemistry'', 10th ed. pp 1669-1674</ref>
| 0.4013 mPa·s at 0°C<br>0.3311 mPa·s at 20°C<br>0.2562 mPa·s at 50°C
|-
|}
 
== Thermodynamic properties == <!-- KEEP this header, it is linked to from the infobox on the main article page -->
 
{| border="1" cellspacing="0" cellpadding="6" style="margin: 0 0 0 0.5em; background: #FFFFFF; border-collapse: collapse; border-color: #C0C090;"
! {{chembox header}} | Phase behavior
|-
| [[Triple point]]
| 178.5 K (&minus;94.3 °C), ? Pa
|-
| [[Critical point (thermodynamics)|Critical point]]
| 508 K (235 °C), 48 bar
|-
| [[Standard enthalpy change of fusion|Std enthalpy change<br/>of fusion]], Δ<sub>fus</sub>''H''<sup><s>o</s></sup>
| +5.7 kJ/mol
|-
| [[Standard entropy change of fusion|Std entropy change<br/>of fusion]], Δ<sub>fus</sub>''S''<sup><s>o</s></sup>
| +32.3 J/(mol·K)
|-
| [[Standard enthalpy change of vaporization|Std enthalpy change<br/>of vaporization]], Δ<sub>vap</sub>''H''<sup><s>o</s></sup>
| +31.3 kJ/mol
|-
| [[Standard entropy change of vaporization|Std entropy change<br/>of vaporization]], Δ<sub>vap</sub>''S''<sup><s>o</s></sup>
| 95 J/(mol·K)
|-
! {{chembox header}} | Solid properties
|-
| [[Standard enthalpy change of formation|Std enthalpy change<br/>of formation]], Δ<sub>f</sub>''H''<sup><s>o</s></sup><sub>solid</sub>
| ? kJ/mol
|-
| [[Standard molar entropy]],<br/>''S''<sup><s>o</s></sup><sub>solid</sub>
| ? J/(mol K)
|-
| [[Heat capacity]], ''c<sub>p</sub>''
| ? J/(mol K)
|-
! {{chembox header}} | Liquid properties
|-
| [[Standard enthalpy change of formation|Std enthalpy change<br/>of formation]], Δ<sub>f</sub>''H''<sup><s>o</s></sup><sub>liquid</sub>
| &minus;249.4 kJ/mol
|-
| [[Standard molar entropy]],<br/>''S''<sup><s>o</s></sup><sub>liquid</sub>
| 200.4 J/(mol K)
|-
| [[Enthalpy of combustion]], Δ<sub>c</sub>''H''<sup><s>o</s></sup>
| –1785.7 kJ/mol
|-
| [[Heat capacity]], ''c<sub>p</sub>''
| 125.5 J/(mol K)
|-
! {{chembox header}} | Gas properties
|-
| [[Standard enthalpy change of formation|Std enthalpy change<br/>of formation]], Δ<sub>f</sub>''H''<sup><s>o</s></sup><sub>gas</sub>
| &minus;218.5 kJ/mol
|-
| [[Standard molar entropy]],<br/>''S''<sup><s>o</s></sup><sub>gas</sub>
| ? J/(mol K)
|-
| [[Heat capacity]], ''c<sub>p</sub>''
| 75 J/(mol K)
|-
| [[van der Waals equation|van der Waals' constants]]<ref name="lange1522">''Lange's Handbook of Chemistry'' 10th ed, pp 1522-1524</ref>
| a = 1409.4 L<sup>2</sup> kPa/mol<sup>2</sup><br> b = 0.0994 liter per mole
|-
|}
 
==Vapor pressure of liquid==
 
{| border="1" cellspacing="0" cellpadding="6" style="margin: 0 0 0 0.5em; background: white; border-collapse: collapse; border-color: #C0C090;"
|-
| {{chembox header}} | '''P in mm Hg''' || 1 || 10 || 40 || 100 || 400 || 760 || 1520 || 3800 || 7600 || 15200 || 30400 || 45600
|-
| {{chembox header}} | '''T in °C''' || –59.4 || –31.1 || –9.4 || 7.7 || 39.5 || 56.5 || 78.6 || 113.0 || 144.5 || 181.0 || 214.5 || &nbsp; —
|}<br>
Table data obtained from ''CRC Handbook of Chemistry and Physics'' 44th ed.
 
{|
| [[Image:AcetoneVaporPressure.svg|thumb|155px|left|'''Vapor pressure of acetone''' based on formula, <math>\scriptstyle P_{mmHg} = 10^{7.02447 - \frac {1161.0} {224+T}}</math> from ''Lange's Handbook of Chemistry'', 10th ed.]]
| [[Image:logAcetoneVaporPressure.png|thumb|428px|left|''' vapor pressure of acetone (log scale)''' based on formula, <math>\scriptstyle \log_{10} P_{mmHg} = 7.02447 - \frac {1161.0} {224+T}</math> from ''Lange's Handbook of Chemistry'', 10th ed.]]
|}
 
==Distillation data==
See also:
* [[Carbon tetrachloride (data page)#Distillation data|Carbon tetrachloride (data page)]]
* [[Butanone (data page)#Distillation data|Butanone (data page)]]
 
{|
|- valign="top"
|
{| border="1" cellspacing="0" cellpadding="6" style="margin: 0 0 0 0.5em; background: white; border-collapse: collapse; border-color: #C0C090;"
|-
| bgcolor="#D0D0D0" align="center" colspan="3" | '''Vapor-liquid Equilibrium of Acetone/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=6 June 2007}}</ref><br>''P'' = 760 mmHg
|- {{chembox header}}
! rowspan="2" | BP<br>Temp.<br>°C
! colspan="2" | % by mole acetone
|- {{chembox header}}
! liquid !! vapor
|-
| 100.00 || 0.0 || 0.0
|-
| 87.8 || 1.0 || 33.5
|-
| 83.0 || 2.3 || 46.2
|-
| 76.5 || 4.1 || 58.5
|-
| 75.38 || 5.0 || 63.1
|-
| 68.76 || 10.0 || 73.1
|-
| 66.2 || 12.0 || 75.6
|-
| 63.98 || 20.0 || 79.2
|-
| 61.84 || 30.0 || 82.0
|-
| 60.73 || 40.0 || 83.4
|-
| 59.87 || 50.0 || 84.8
|-
| 59.29 || 60.0 || 85.8
|-
| 58.52 || 70.0 || 87.4
|-
| 57.65 || 80.0 || 89.4
|-
| 57.1  || 85.0 || 91.8
|-
| 56.65 || 90.0 || 93.8
|-
| 56.36 || 95.0 || 96.3
|-
| 56.09 || 100.0 || 100.0
|-
|}
| &nbsp; &nbsp;
|
{| border="1" cellspacing="0" cellpadding="6" style="margin: 0 0 0 0.5em; background: white; border-collapse: collapse; border-color: #C0C090;"
|-
| bgcolor="#D0D0D0" align="center" colspan="3" | '''Vapor-liquid Equilibrium of Acetone/[[Methanol]]'''<ref name="cheric"/><br>''P'' = 101.325 kPa
|- {{chembox header}}
! rowspan="2" | BP<br>Temp.<br>°C
! colspan="2" | % by mole methanol
|- {{chembox header}}
! liquid !! vapor
|-
| 55.67 || 7.0 || 8.2
|-
| 55.43 || 13.3 || 14.4
|-
| 55.31 || 18.1 || 18.8
|-
| 55.24 || 21.7 || 21.8      
|-
| 55.25 || 22.7 || 22.6
|-
| 55.30 || 26.5 || 25.5
|-
| 55.39 || 34.0 || 31.1
|-
| 55.74 || 40.6 || 35.6
|-
| 55.96 || 44.6 || 38.2
|-
| 56.15 || 48.1 || 40.6
|-
| 56.90 || 59.3 || 48.6
|-
| 57.05 || 60.6 || 49.6
|-
| 57.29 || 63.1 || 51.5
|-
| 57.69 || 67.6 || 55.0
|-
| 58.32 || 71.9 || 59.0
|-
| 58.49 || 73.7 || 60.8
|-
| 58.97 || 77.1 || 64.3
|-
| 59.57 || 80.5 || 68.1
|-
| 60.41 || 84.9 || 73.5
|-
| 61.53 || 90.0 || 80.9
|-
| 62.21 || 92.6 || 85.2
|-
| 62.79 || 94.7 || 89.0
|-
| 63.69 || 97.6 || 94.7
|-
|}
| &nbsp; &nbsp;
|
{| border="1" cellspacing="0" cellpadding="6" style="margin: 0 0 0 0.5em; background: white; border-collapse: collapse; border-color: #C0C090;"
|-
| bgcolor="#D0D0D0" align="center" colspan="3" | '''Vapor-liquid Equilibrium of Acetone/[[Ethanol]]'''<ref name="cheric"/><br>''P'' = 760&nbsp;mm Hg
|- {{chembox header}}
! rowspan="2" | BP<br>Temp.<br>°C
! colspan="2" | % by mole acetone
|- {{chembox header}}
! liquid !! vapor
|-
| 78.3 || 0 || 0
|-
| 76.4 || 3.3 || 11.1
|-
| 74.0 || 7.8 || 21.6
|-
| 70.8 || 14.9 || 34.5
|-
| 69.1 || 19.5 || 41.0
|-
| 65.6 || 31.6 || 53.4
|-
| 63.4 || 41.4 || 61.4
|-
| 61.3 || 53.2 || 69.7
|-
| 59.0 || 69.1 || 79.6
|-
| 57.3 || 85.2 || 89.6
|-
| 56.1 || 100.0 || 100.0
|-
|}
|}
 
== Spectral data == <!-- KEEP this header, it is linked to from the infobox on the main article page -->
 
{| border="1" cellspacing="0" cellpadding="3" style="margin: 0 0 0 0.5em; background: #FFFFFF; border-collapse: collapse; border-color: #C0C090;"
! {{chembox header}} | [[UV/VIS spectroscopy|UV-Vis]]
|-
| [[Lambda-max|λ<sub>max</sub>]]
| 280 [[Nanometre|nm]]
|-
| [[molar absorptivity|Extinction coefficient]], ε
| 12.4 L/(mol·cm) @ 280&nbsp;nm
|-
! {{chembox header}} | [[Infrared|IR]]
|-
| 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>
|
{|
|-
| colspan="2" align="center" | (liquid film)
|-
! Wave number !! Transmittance
|-
| 3414&nbsp;cm<sup>&minus;1</sup> || 78%
|-
| 3005&nbsp;cm<sup>&minus;1</sup> || 66%
|-
| 2966&nbsp;cm<sup>&minus;1</sup> || 74%
|-
| 2925&nbsp;cm<sup>&minus;1</sup> || 77%
|-
| 1749&nbsp;cm<sup>&minus;1</sup> || 52%
|-
| 1715&nbsp;cm<sup>&minus;1</sup> || 4%
|-
| 1434&nbsp;cm<sup>&minus;1</sup> || 49%
|-
| 1421&nbsp;cm<sup>&minus;1</sup> || 47%
|-
| 1363&nbsp;cm<sup>&minus;1</sup> || 13%
|-
| 1223&nbsp;cm<sup>&minus;1</sup> || 12%
|-
| 1093&nbsp;cm<sup>&minus;1</sup> || 68%
|-
| 903&nbsp;cm<sup>&minus;1</sup> || 81%
|-
| 531&nbsp;cm<sup>&minus;1</sup> || 36%
|}
|-
! {{chembox header}} | [[NMR Spectroscopy|NMR]]
|-
| [[Proton NMR]] <!-- Link to image of spectrum -->
| (CDCl<sub>3</sub>, 300&nbsp;MHz) δ 2.16 (s, 6H)
|-
| [[Carbon-13 NMR]] <!-- Link to image of spectrum -->
| (CDCl<sub>3</sub>, 25&nbsp;MHz) δ 206.6, 30.8
|-
| Other NMR data <!-- Insert special data e.g. <sup>19</sup>F chem. shifts, omit if not used -->
| &nbsp;
|-
! {{chembox header}} | [[Mass Spectrometry|MS]]
|-
| Masses of <br>main fragments
| &nbsp; <!-- Give list of major fragments -->
|-
|}
 
== References ==
<references/>
*{{nist}}
 
Except where noted otherwise, data relate to [[standard ambient temperature and pressure]].
 
[[wikipedia:Chemical infobox|Disclaimer]] applies.
 
{{DEFAULTSORT:Acetone (Data Page)}}
[[Category:Chemical data pages]]

Revision as of 01:42, 9 April 2013

This page provides supplementary chemical data on acetone.

Material Safety Data Sheet

The handling of this chemical may incur notable safety precautions. It is highly recommend that you seek the Material Safety Datasheet (MSDS) for this chemical from a reliable source and follow its directions.

Structure and properties

Structure and properties
Index of refraction, nD 1.3561
Dielectric constant, εr 20.7 ε0 at 25°C
Bond strength ?
Bond length ?
Bond angle ?
Magnetic susceptibility ?
Surface tension 26.2 dyn/cm at 0°
23.7 dyn/cm at 20°C
Viscosity[1] 0.4013 mPa·s at 0°C
0.3311 mPa·s at 20°C
0.2562 mPa·s at 50°C

Thermodynamic properties

Phase behavior
Triple point 178.5 K (−94.3 °C), ? Pa
Critical point 508 K (235 °C), 48 bar
Std enthalpy change
of fusion
, ΔfusHo
+5.7 kJ/mol
Std entropy change
of fusion
, ΔfusSo
+32.3 J/(mol·K)
Std enthalpy change
of vaporization
, ΔvapHo
+31.3 kJ/mol
Std entropy change
of vaporization
, ΔvapSo
95 J/(mol·K)
Solid properties
Std enthalpy change
of formation
, ΔfHosolid
? kJ/mol
Standard molar entropy,
Sosolid
? J/(mol K)
Heat capacity, cp ? J/(mol K)
Liquid properties
Std enthalpy change
of formation
, ΔfHoliquid
−249.4 kJ/mol
Standard molar entropy,
Soliquid
200.4 J/(mol K)
Enthalpy of combustion, ΔcHo –1785.7 kJ/mol
Heat capacity, cp 125.5 J/(mol K)
Gas properties
Std enthalpy change
of formation
, ΔfHogas
−218.5 kJ/mol
Standard molar entropy,
Sogas
? J/(mol K)
Heat capacity, cp 75 J/(mol K)
van der Waals' constants[2] a = 1409.4 L2 kPa/mol2
b = 0.0994 liter per mole

Vapor pressure of liquid

P in mm Hg 1 10 40 100 400 760 1520 3800 7600 15200 30400 45600
T in °C –59.4 –31.1 –9.4 7.7 39.5 56.5 78.6 113.0 144.5 181.0 214.5   —


Table data obtained from CRC Handbook of Chemistry and Physics 44th ed.

Vapor pressure of acetone based on formula, from Lange's Handbook of Chemistry, 10th ed.
vapor pressure of acetone (log scale) based on formula, from Lange's Handbook of Chemistry, 10th ed.

Distillation data

See also:

Vapor-liquid Equilibrium of Acetone/water[3]
P = 760 mmHg
BP
Temp.
°C
% by mole acetone
liquid vapor
100.00 0.0 0.0
87.8 1.0 33.5
83.0 2.3 46.2
76.5 4.1 58.5
75.38 5.0 63.1
68.76 10.0 73.1
66.2 12.0 75.6
63.98 20.0 79.2
61.84 30.0 82.0
60.73 40.0 83.4
59.87 50.0 84.8
59.29 60.0 85.8
58.52 70.0 87.4
57.65 80.0 89.4
57.1 85.0 91.8
56.65 90.0 93.8
56.36 95.0 96.3
56.09 100.0 100.0
   
Vapor-liquid Equilibrium of Acetone/Methanol[3]
P = 101.325 kPa
BP
Temp.
°C
% by mole methanol
liquid vapor
55.67 7.0 8.2
55.43 13.3 14.4
55.31 18.1 18.8
55.24 21.7 21.8
55.25 22.7 22.6
55.30 26.5 25.5
55.39 34.0 31.1
55.74 40.6 35.6
55.96 44.6 38.2
56.15 48.1 40.6
56.90 59.3 48.6
57.05 60.6 49.6
57.29 63.1 51.5
57.69 67.6 55.0
58.32 71.9 59.0
58.49 73.7 60.8
58.97 77.1 64.3
59.57 80.5 68.1
60.41 84.9 73.5
61.53 90.0 80.9
62.21 92.6 85.2
62.79 94.7 89.0
63.69 97.6 94.7
   
Vapor-liquid Equilibrium of Acetone/Ethanol[3]
P = 760 mm Hg
BP
Temp.
°C
% by mole acetone
liquid vapor
78.3 0 0
76.4 3.3 11.1
74.0 7.8 21.6
70.8 14.9 34.5
69.1 19.5 41.0
65.6 31.6 53.4
63.4 41.4 61.4
61.3 53.2 69.7
59.0 69.1 79.6
57.3 85.2 89.6
56.1 100.0 100.0

Spectral data

UV-Vis
λmax 280 nm
Extinction coefficient, ε 12.4 L/(mol·cm) @ 280 nm
IR
Major absorption bands[4]
(liquid film)
Wave number Transmittance
3414 cm−1 78%
3005 cm−1 66%
2966 cm−1 74%
2925 cm−1 77%
1749 cm−1 52%
1715 cm−1 4%
1434 cm−1 49%
1421 cm−1 47%
1363 cm−1 13%
1223 cm−1 12%
1093 cm−1 68%
903 cm−1 81%
531 cm−1 36%
NMR
Proton NMR (CDCl3, 300 MHz) δ 2.16 (s, 6H)
Carbon-13 NMR (CDCl3, 25 MHz) δ 206.6, 30.8
Other NMR data  
MS
Masses of
main fragments
 

References

  1. Lange's Handbook of Chemistry, 10th ed. pp 1669-1674
  2. Lange's Handbook of Chemistry 10th ed, pp 1522-1524
  3. 3.0 3.1 3.2 Template:Cite web
  4. Template:Cite web

Except where noted otherwise, data relate to standard ambient temperature and pressure.

Disclaimer applies.