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

• ω : Acentric Factor.
• 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_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).
• 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.
• 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
ω	0.4746		Relay (1.0) Calculated Property
ΔcH°liquid	-2918.70 ± 1.00	kJ/mol	NIST
ΔfH°gas	-812.60 ± 1.10	kJ/mol	NIST
ΔfH°liquid	-871.50 ± 1.00	kJ/mol	NIST
ΔfusH°	16.51	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
IE	10.04	eV	Relay (1.0) Calculated Property
log10WS	-0.73		Relay (1.0) Calculated Property
logPoct/wat	0.459		Crippen Calculated Property
McVol	110.280	ml/mol	McGowan Calculated Property
Pc	2970.00	kPa	Critical Point and Vapor Pressure Measurements for 17 Compounds by a Low Residence Time Flow Method
Inp	[786.00; 789.00]
Inp	789.00		NIST
Inp	786.00		NIST
Inp	789.00		NIST
Tboil	405.95	K	Relay (1.0) Calculated Property
Tc	588.29	K	Relay (1.0) Calculated Property
Tfus	254.33	K	Relay (1.0) Calculated Property
Vc	0.435	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[230.52; 285.00]	J/mol×K	[452.88; 638.32]
Cp,gas	230.52	J/mol×K	452.88	Joback Calculated Property
Cp,gas	240.57	J/mol×K	483.79	Joback Calculated Property
Cp,gas	250.24	J/mol×K	514.69	Joback Calculated Property
Cp,gas	259.53	J/mol×K	545.60	Joback Calculated Property
Cp,gas	268.43	J/mol×K	576.51	Joback Calculated Property
Cp,gas	276.92	J/mol×K	607.42	Joback Calculated Property
Cp,gas	285.00	J/mol×K	638.32	Joback Calculated Property
η	[0.0002290; 0.0094279]	Pa×s	[227.04; 452.88]
η	0.0094279	Pa×s	227.04	Joback Calculated Property
η	0.0032656	Pa×s	264.68	Joback Calculated Property
η	0.0014729	Pa×s	302.32	Joback Calculated Property
η	0.0007924	Pa×s	339.96	Joback Calculated Property
η	0.0004824	Pa×s	377.60	Joback Calculated Property
η	0.0003213	Pa×s	415.24	Joback Calculated Property
η	0.0002290	Pa×s	452.88	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 Yaws Handbook of Vapor Pressure
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 Vapor Pressure Data
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
• Cheméo Relay (1.0)
• 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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