Acetone (data page)

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This page provides supplementary chemical data on acetone.

1 Material Safety Data Sheet
2 Structure and properties
3 Thermodynamic properties
4 Vapor pressure of liquid
5 Distillation data
6 Spectral data
7 References

[edit] 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 such as SIRI, and follow its directions. MSDS for acetone available at Mallinckrodt Baker.

Outline safety data is available from the PTCL at Oxford University.

[edit] Structure and properties

Structure and properties
Index of refraction, n_D	1.3561
Dielectric constant, ε_r	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

[edit] 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, Δ_fusH^o	+5.7 kJ/mol
Std entropy change of fusion, Δ_fusS^o	+32.3 J/(mol·K)
Std enthalpy change of vaporization, Δ_vapH^o	+31.3 kJ/mol
Std entropy change of vaporization, Δ_vapS^o	95 J/(mol·K)
Solid properties
Std enthalpy change of formation, Δ_fH^o_solid	? kJ/mol
Standard molar entropy, S^o_solid	? J/(mol K)
Heat capacity, c_p	? J/(mol K)
Liquid properties
Std enthalpy change of formation, Δ_fH^o_liquid	−249.4 kJ/mol
Standard molar entropy, S^o_liquid	200.4 J/(mol K)
Enthalpy of combustion, Δ_cH^o	–1785.7 kJ/mol
Heat capacity, c_p	125.5 J/(mol K)
Gas properties
Std enthalpy change of formation, Δ_fH^o_gas	−218.5 kJ/mol
Standard molar entropy, S^o_gas	? J/(mol K)
Heat capacity, c_p	75 J/(mol K)
van der Waals' constants^[2]	a = 1409.4 L² kPa/mol² b = 0.0994 liter per mole

[edit] 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 based on formula, $\scriptstyle P_{mmHg} = 10^{7.02447 - \frac {1161.0} {224+T}}$ from Lange's Handbook of Chemistry, 10th ed.

log10 of vapor pressure of acetone based on formula, from Lange's Handbook of Chemistry, 10th ed.

log₁₀ of vapor pressure of acetone based on formula, $\scriptstyle \log_{10} P_{mmHg} = 7.02447 - \frac {1161.0} {224+T}$ from Lange's Handbook of Chemistry, 10th ed.

[edit] Distillation data

See also:

BP Temp. °C	% by mole acetone
Vapor-liquid Equilibrium of Acetone/water^[3] P = 760 mmHg
BP Temp. °C	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

BP Temp. °C	% by mole methanol
Vapor-liquid Equilibrium of Acetone/Methanol^[3] P = 101.325 kPa
BP Temp. °C	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

BP Temp. °C	% by mole acetone
Vapor-liquid Equilibrium of Acetone/Ethanol^[3] P = 760 mm Hg
BP Temp. °C	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

[edit] Spectral data

UV-Vis

λ_max

280 nm

Extinction coefficient, ε

12.4 L/(mol·cm) @ 280 nm

Major absorption bands^[4]

Wave number	Transmittance
(liquid film)
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

Carbon-13 NMR

Other NMR data

Masses of
main fragments

[edit] References

^ Lange's Handbook of Chemistry, 10th ed. pp 1669-1674
^ Lange's Handbook of Chemistry 10th ed, pp 1522-1524
^ ^a ^b ^c Binary Vapor-Liquid Equilibrium Data (Queriable database). Chemical Engineering Research Information Center.
^ [http://www.aist.go.jp/RIODB/SDBS/cgi-bin/cre_index.cgi Spectral Database for Organic Compounds] (Queriable database). Advanced Industrial Science and Technology. Retrieved on 7 June 2007.