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 diacetate
• Ethylene diacetin
• Ethylene diethanoate
• Ethylene glycol acetate
• Ethylene glycol diacetate
• Ethylene glycol, diacetate
• Ethylene gycol diacetate
• Glycol diacetate
• NSC 8853
• ethanoic acid, 1,2-ethanediyl ester
• ethylidene diacetate

• 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).
• 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
ΔfG°	-468.20	kJ/mol	Joback Calculated Property
ΔfH°gas	-656.77	kJ/mol	Joback Calculated Property
ΔfusH°	16.87	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
log10WS	-0.06		Crippen Calculated Property
logPoct/wat	0.113		Crippen Calculated Property
McVol	110.280	ml/mol	McGowan Calculated Property
Pc	3452.08	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	Outlier 993.90		NIST
Inp	1008.00		NIST
Inp	1002.00		NIST
Inp	1006.00		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	677.07	K	Joback Calculated Property
Tfus	301.70	K	Joback Calculated Property
Vc	0.419	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[236.42; 287.43]	J/mol×K	[489.26; 677.07]
Cp,gas	236.42	J/mol×K	489.26	Joback Calculated Property
Cp,gas	245.69	J/mol×K	520.56	Joback Calculated Property
Cp,gas	254.67	J/mol×K	551.86	Joback Calculated Property
Cp,gas	263.35	J/mol×K	583.16	Joback Calculated Property
Cp,gas	271.71	J/mol×K	614.46	Joback Calculated Property
Cp,gas	279.74	J/mol×K	645.76	Joback Calculated Property
Cp,gas	287.43	J/mol×K	677.07	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	[0.0002663; 0.0020653]	Pa×s	[301.70; 489.26]
η	0.0020653	Pa×s	301.70	Joback Calculated Property
η	0.0012506	Pa×s	332.96	Joback Calculated Property
η	0.0008254	Pa×s	364.22	Joback Calculated Property
η	0.0005818	Pa×s	395.48	Joback Calculated Property
η	0.0004316	Pa×s	426.74	Joback Calculated Property
η	0.0003335	Pa×s	458.00	Joback Calculated Property
η	0.0002663	Pa×s	489.26	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 Vap...
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
• Crippen Method
• Crippen Method
• Measurement of the thermodynamic properties for the reactive system ethylene glycol acetic acid
• Salt Effect on the Liquid-Liquid Equilibrium for the Water-Ethylene Glycol-Ethylene Glycol Diacetate System
• Joback Method
• KDB
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.