Chemical Properties of 1,2-Ethanediol, diacetate (CAS 111-55-7)

InChI

InChI=1S/C6H10O4/c1-5(7)9-3-4-10-6(2)8/h3-4H2,1-2H3

InChI Key

JTXMVXSTHSMVQF-UHFFFAOYSA-N

Formula

C6H10O4

SMILES

CC(=O)OCCOC(C)=O

Molecular Weight¹

146.14

CAS

111-55-7

Other Names

• 1,2-Diacetoxyethane
• 1,2-Ethanediol, 1,2-diacetate
• 1,2-ethanediol, diethanoate
• 2-Acetyloxyethyl acetate
• Aptex Donor H-plus
• CH3C(O)OCH2CH2OC(O)CH3
• Ethanediol diacetate
• Ethylene acetate
• Ethylene diacetin
• Ethylene glycol acetate
• Ethylene glycol diacetate
• Ethylene gycol diacetate
• NSC 8853
• ethanoic acid, 1,2-ethanediyl ester
• ethylene diacetate
• ethylene diethanoate
• ethylene glycol, diacetate
• ethylidene diacetate
• glycol diacetate

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,liquid : Liquid phase heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• Δ_vapH : Enthalpy of vaporization at a given temperature (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• P_vap : Vapor pressure (kPa).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.5465		Relay (1.0) Calculated Property
ΔfG°	-621.10	kJ/mol	Joback Calculated Property
ΔfH°gas	-802.08	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	20.03	kJ/mol	Joback Calculated Property
ΔvapH°	[61.00; 61.44]	kJ/mol
ΔvapH°	61.40 ± 0.20	kJ/mol	NIST
ΔvapH°	61.44 ± 0.15	kJ/mol	NIST
ΔvapH°	61.40 ± 0.20	kJ/mol	NIST
ΔvapH°	61.04 ± 0.02	kJ/mol	NIST
ΔvapH°	61.00 ± 0.10	kJ/mol	NIST
IE	9.79	eV	Relay (1.0) Calculated Property
log10WS	-0.65		Relay (1.0) Calculated Property
logPoct/wat	0.113		Crippen Calculated Property
McVol	110.280	ml/mol	McGowan Calculated Property
Pc	3142.03	kPa	Joback Calculated Property
Inp	[993.90; 1011.00]
Inp	1008.00		NIST
Inp	1010.00		NIST
Inp	1007.00		NIST
Inp	1010.00		NIST
Inp	1007.00		NIST
Inp	1008.00		NIST
Inp	1007.00		NIST
Inp	1011.00		NIST
Inp	1007.00		NIST
Inp	1010.00		NIST
Inp	1002.00		NIST
Inp	1009.00		NIST
Inp	Outlier 993.90		NIST
Inp	1006.00		NIST
Inp	1008.00		NIST
Inp	1002.00		NIST
Inp	1006.00		NIST
Inp	Outlier 993.90		NIST
I	[1490.00; 1555.00]
I	1490.00		NIST
I	1531.00		NIST
I	1555.00		NIST
I	1539.00		NIST
I	1490.00		NIST
Tboil	[459.70; 466.15]	K
Tboil	459.70	K	NIST
Tboil	463.20	K	NIST
Tboil	466.15 ± 1.50	K	NIST
Tc	654.90	K	DIPPR Project 851 - Thirty Years of Vapor-Liquid Critical Point Measurements and Experimental Technique Development
Tfus	263.99	K	Relay (1.0) Calculated Property
Vc	0.434	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[230.37; 283.42]	J/mol×K	[453.32; 634.71]
Cp,gas	230.37	J/mol×K	453.32	Joback Calculated Property
Cp,gas	240.12	J/mol×K	483.55	Joback Calculated Property
Cp,gas	249.51	J/mol×K	513.78	Joback Calculated Property
Cp,gas	258.55	J/mol×K	544.02	Joback Calculated Property
Cp,gas	267.22	J/mol×K	574.25	Joback Calculated Property
Cp,gas	275.51	J/mol×K	604.48	Joback Calculated Property
Cp,gas	283.42	J/mol×K	634.71	Joback Calculated Property
Cp,liquid	[269.20; 310.00]	J/mol×K	[298.15; 298.15]
Cp,liquid	269.20	J/mol×K	298.15	NIST
Cp,liquid	310.00	J/mol×K	298.15	NIST
η	[0.0002400; 0.0058089]	Pa×s	[242.04; 453.32]
η	0.0058089	Pa×s	242.04	Joback Calculated Property
η	0.0024376	Pa×s	277.25	Joback Calculated Property
η	0.0012441	Pa×s	312.47	Joback Calculated Property
η	0.0007276	Pa×s	347.68	Joback Calculated Property
η	0.0004697	Pa×s	382.89	Joback Calculated Property
η	0.0003264	Pa×s	418.11	Joback Calculated Property
η	0.0002400	Pa×s	453.32	Joback Calculated Property
ΔvapH	[55.20; 57.60]	kJ/mol	[387.50; 418.00]
ΔvapH	55.20	kJ/mol	387.50	NIST
ΔvapH	57.60	kJ/mol	418.00	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[2.03e-06; 3091.00]	kPa	[242.15; 653.00]	KDB Vapor Pressure Data
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			3.83647e+02
Coefficient B			-2.43192e+04
Coefficient C			-5.43240e+01
Coefficient D			3.22152e-05
Temperature range, min.			242.15
Temperature range, max.			653.00
Pvap	2.03e-06	kPa	242.15	Calculated Property
Pvap	3.08e-03	kPa	287.80	Calculated Property
Pvap	0.27	kPa	333.45	Calculated Property
Pvap	4.77	kPa	379.10	Calculated Property
Pvap	31.87	kPa	424.75	Calculated Property
Pvap	120.19	kPa	470.40	Calculated Property
Pvap	324.26	kPa	516.05	Calculated Property
Pvap	729.06	kPa	561.70	Calculated Property
Pvap	1510.93	kPa	607.35	Calculated Property
Pvap	3091.00	kPa	653.00	Calculated Property

Similar Compounds

Find more compounds similar to 1,2-Ethanediol, diacetate.

Mixtures

• 1,2-Ethanediol, diacetate + 1,2-Ethanediol
• 1,2-Ethanediol, diacetate + Water
• 1,2-Ethanediol, diacetate + Acetic acid
• 1,2-Ethanediol, diacetate + 1,2-Ethanediol, monoacetate
• 1,2-Ethanediol, diacetate + 1,2-Ethanediol + Water
• 1,2-Ethanediol, diacetate + sodium chloride + Water
• potassium chloride + 1,2-Ethanediol, diacetate + Water

Sources

• KDB Vapor Pressure Data
• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Measurement of the thermodynamic properties for the reactive system ethylene glycol acetic acid
• DIPPR Project 851 - Thirty Years of Vapor-Liquid Critical Point Measurements and Experimental Technique Development
• Salt Effect on the Liquid-Liquid Equilibrium for the Water-Ethylene Glycol-Ethylene Glycol Diacetate System
• Joback Method
• KDB
• McGowan Method
• NIST Webbook

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