Chemical Properties of 1,1-Ethanediol, diacetate (CAS 542-10-9)

InChI

InChI=1S/C6H10O4/c1-4(7)9-6(3)10-5(2)8/h6H,1-3H3

InChI Key

ACKALUBLCWJVNB-UHFFFAOYSA-N

Formula

C6H10O4

SMILES

CC(=O)OC(C)OC(C)=O

Molecular Weight¹

146.14

CAS

542-10-9

Other Names

• 1,1'-Diacetoxy-ethane
• 1,1-Diacetoxyethane
• 1,1-ETHANEDIOL
• DIACETATE
• ETHYLIDENE ACETATE
• Ethylidene diacetate
• ethylidene diethanoate

• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas 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_fH°_liquid : Liquid phase 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.
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (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
ΔcH°liquid	-2918.70 ± 1.00	kJ/mol	NIST
ΔfG°	-470.64	kJ/mol	Joback Calculated Property
ΔfH°gas	-812.60 ± 1.10	kJ/mol	NIST
ΔfH°liquid	-871.50 ± 1.00	kJ/mol	NIST
ΔfusH°	13.35	kJ/mol	Joback Calculated Property
ΔvapH°	[58.90; 59.00]	kJ/mol
ΔvapH°	59.00 ± 1.00	kJ/mol	NIST
ΔvapH°	58.90	kJ/mol	NIST
log10WS	-0.67		Crippen Calculated Property
logPoct/wat	0.459		Crippen Calculated Property
McVol	110.280	ml/mol	McGowan Calculated Property
Pc	2970.00	kPa	Critica...
Inp	[786.00; 789.00]
Inp	789.00		NIST
Inp	786.00		NIST
Tboil	488.82	K	Joback Calculated Property
Tc	680.73	K	Joback Calculated Property
Tfus	286.70	K	Joback Calculated Property
Vc	0.413	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[236.68; 289.02]	J/mol×K	[488.82; 680.73]
Cp,gas	236.68	J/mol×K	488.82	Joback Calculated Property
Cp,gas	246.23	J/mol×K	520.80	Joback Calculated Property
Cp,gas	255.46	J/mol×K	552.79	Joback Calculated Property
Cp,gas	264.37	J/mol×K	584.77	Joback Calculated Property
Cp,gas	272.95	J/mol×K	616.76	Joback Calculated Property
Cp,gas	281.17	J/mol×K	648.74	Joback Calculated Property
Cp,gas	289.02	J/mol×K	680.73	Joback Calculated Property
η	[0.0002524; 0.0027257]	Pa×s	[286.70; 488.82]
η	0.0027257	Pa×s	286.70	Joback Calculated Property
η	0.0014884	Pa×s	320.39	Joback Calculated Property
η	0.0009119	Pa×s	354.07	Joback Calculated Property
η	0.0006083	Pa×s	387.76	Joback Calculated Property
η	0.0004330	Pa×s	421.45	Joback Calculated Property
η	0.0003241	Pa×s	455.13	Joback Calculated Property
η	0.0002524	Pa×s	488.82	Joback Calculated Property
ΔvapH	49.70	kJ/mol	390.50	NIST

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.63]	kPa	[337.55; 468.47]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.40900e+01
Coefficient B			-3.15761e+03
Coefficient C			-1.08775e+02
Temperature range, min.			337.55
Temperature range, max.			468.47
Pvap	1.33	kPa	337.55	Calculated Property
Pvap	3.04	kPa	352.10	Calculated Property
Pvap	6.33	kPa	366.64	Calculated Property
Pvap	12.17	kPa	381.19	Calculated Property
Pvap	21.90	kPa	395.74	Calculated Property
Pvap	37.24	kPa	410.28	Calculated Property
Pvap	60.30	kPa	424.83	Calculated Property
Pvap	93.59	kPa	439.38	Calculated Property
Pvap	139.97	kPa	453.92	Calculated Property
Pvap	202.63	kPa	468.47	Calculated Property
Pvap	[0.04; 3249.39]	kPa	[292.00; 635.00]	KDB Vap...
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			3.44052e+02
Coefficient B			-2.10841e+04
Coefficient C			-4.89250e+01
Coefficient D			3.21924e-05
Temperature range, min.			292.00
Temperature range, max.			635.00
Pvap	0.04	kPa	292.00	Calculated Property
Pvap	0.95	kPa	330.11	Calculated Property
Pvap	7.97	kPa	368.22	Calculated Property
Pvap	35.80	kPa	406.33	Calculated Property
Pvap	108.31	kPa	444.44	Calculated Property
Pvap	255.65	kPa	482.56	Calculated Property
Pvap	520.00	kPa	520.67	Calculated Property
Pvap	976.45	kPa	558.78	Calculated Property
Pvap	1777.53	kPa	596.89	Calculated Property
Pvap	3249.39	kPa	635.00	Calculated Property

Similar Compounds

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

Sources

• KDB Vapor Pressure Data
• Crippen Method
• Crippen Method
• Critical Point and Vapor Pressure Measurements for 17 Compounds by a Low Residence Time Flow Method
• Joback Method
• KDB
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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