Acetic acid, methyl ester

Formula: C₃H₆O₂
Molecular weight: 74.0785
IUPAC Standard InChI: InChI=1S/C3H6O2/c1-3(4)5-2/h1-2H3
IUPAC Standard InChIKey: KXKVLQRXCPHEJC-UHFFFAOYSA-N
CAS Registry Number: 79-20-9
Chemical structure:
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Other names: Methyl acetate; Devoton; Tereton; CH3COOCH3; Methyl ethanoate; Acetate de methyle; Methyl acetic ester; Methylacetaat; Methylacetat; Methyle (acetate de); Methylester kiseliny octove; Metile (acetato di); Ethyl ester of monoacetic acid; UN 1231; Methyl ester of acetic acid; NSC 405071
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Gas phase thermochemistry data

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Data compiled as indicated in comments:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
GT - Glushko Thermocenter, Russian Academy of Sciences, Moscow

Quantity	Value	Units	Method	Reference	Comment
Δ_fH°_gas	-410.0	kJ/mol	Ccr	Hall and Baldt, 1971	ALS

Constant pressure heat capacity of gas

C_p,gas (J/mol*K)	Temperature (K)	Reference	Comment
55.78	100.	Chao J., 1986	p=1 bar. Recommended Cp(T) values are in close agreement with those calculated by [ Vay P.-M., 1971]. S(T) values calculated by [ Vay P.-M., 1971] are 4.6-4.8 J/mol*K lower than those of [ Chao J., 1986].; GT
63.27	150.
70.02	200.
81.56	273.15
86.03 ± 0.12	298.15
86.37	300.
105.31	400.
123.40	500.
139.25	600.
152.84	700.
164.47	800.
174.46	900.
183.06	1000.
190.47	1100.
196.87	1200.
202.39	1300.
207.18	1400.
211.34	1500.

Constant pressure heat capacity of gas

C_p,gas (J/mol*K)	Temperature (K)	Reference	Comment
92.58	335.0	Connett J.E., 1976	GT
95.46	350.0
100.39	375.0
105.31	400.0
109.98	425.0
114.63	450.0

References

Go To: Top, Gas phase thermochemistry data, Notes

Hall and Baldt, 1971
Hall, H.K., Jr.; Baldt, J.H., Thermochemistry of strained-ring bridgehead nitriles and esters, J. Am. Chem. Soc., 1971, 93, 140-145. [all data]

Chao J., 1986
Chao J., Thermodynamic properties of key organic oxygen compounds in the carbon range C1 to C4. Part 2. Ideal gas properties, J. Phys. Chem. Ref. Data, 1986, 15, 1369-1436. [all data]

Vay P.-M., 1971
Vay P.-M., Tables of thermodynamic functions for gaseous methyl formate and methyl acetate, J. Chim. Phys. Physico-Chim. Biol., 1971, 68, 1757-1758. [all data]

Connett J.E., 1976
Connett J.E., Thermodynamic properties of organic oxygen compounds. XLIV. Vapor heat capacities and enthalpies of vaporization of methyl acetate, ethyl acetate, and propyl acetate, J. Chem. Thermodyn., 1976, 8, 1199-1203. [all data]

Notes

Go To: Top, Gas phase thermochemistry data, References

Symbols used in this document:

C_p,gas Constant pressure heat capacity of gas

Δ_fH°_gas Enthalpy of formation of gas at standard conditions
Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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C_p,gas	Constant pressure heat capacity of gas
Δ_fH°_gas	Enthalpy of formation of gas at standard conditions