Chemical Properties of 1,2-Ethanediol, monoacetate

InChI

InChI=1S/C4H8O3/c1-4(6)7-3-2-5/h5H,2-3H2,1H3

InChI Key

HXDLWJWIAHWIKI-UHFFFAOYSA-N

Formula

C4H8O3

SMILES

CC(=O)OCCO

Molecular Weight¹

104.10

Other Names

• 1,2-Ethanediol, 1-acetate
• 2-Acetoxyethanol
• 2-Hydroxyethyl ester of acetic acid
• 2-Hydroxyethylester kyseliny octove
• 2-hydroxyethyl acetate
• 2-hydroxyethyl ethanoate
• Acetic acid 2-hydroxyethyl ester
• Ethylene glycol, acetate
• Ethylene glycol, monoacetate
• Ethylenediol, monoacetate
• Glycol, monoacetate
• Glycol-monoacetin
• NSC 9234
• acetic acid, 2-hydroxyethyl ester
• ethanediol monoacetate
• ethylene glycol monoacetate
• «beta»-Hydroxyethyl acetate

• 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.
• 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	0.6416		Relay (1.0) Calculated Property
ΔfG°	-464.39	kJ/mol	Joback Calculated Property
ΔfH°gas	-628.99	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	14.57	kJ/mol	Joback Calculated Property
ΔvapH°	63.90 ± 0.30	kJ/mol	NIST
IE	10.10	eV	Relay (1.0) Calculated Property
log10WS	0.66		Relay (1.0) Calculated Property
logPoct/wat	-0.458		Crippen Calculated Property
McVol	80.530	ml/mol	McGowan Calculated Property
Pc	4414.96	kPa	Joback Calculated Property
Inp	[844.00; 858.70]
Inp	858.70		NIST
Inp	844.00		NIST
Inp	844.00		NIST
Tboil	461.20	K	NIST
Tc	650.07	K	Relay (1.0) Calculated Property
Tfus	231.94	K	Relay (1.0) Calculated Property
Vc	0.298	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,liquid	203.00	J/mol×K	298.15	NIST
ΔvapH	55.10	kJ/mol	405.50	NIST
Pvap	[2.22; 72.79]	kPa	[363.15; 448.78]
Pvap	2.22	kPa	363.15	Measurement of the thermodynamic properties for the reactive system ethylene glycol acetic acid
Pvap	3.79	kPa	374.42	Measurement of the thermodynamic properties for the reactive system ethylene glycol acetic acid
Pvap	13.81	kPa	403.66	Measurement of the thermodynamic properties for the reactive system ethylene glycol acetic acid
Pvap	23.64	kPa	417.65	Measurement of the thermodynamic properties for the reactive system ethylene glycol acetic acid
Pvap	33.46	kPa	427.41	Measurement of the thermodynamic properties for the reactive system ethylene glycol acetic acid
Pvap	43.30	kPa	434.90	Measurement of the thermodynamic properties for the reactive system ethylene glycol acetic acid
Pvap	53.13	kPa	440.57	Measurement of the thermodynamic properties for the reactive system ethylene glycol acetic acid
Pvap	62.95	kPa	444.25	Measurement of the thermodynamic properties for the reactive system ethylene glycol acetic acid
Pvap	72.79	kPa	448.78	Measurement of the thermodynamic properties for the reactive system ethylene glycol acetic acid

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[119.18; 252.47]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			2.99520e+01
Coefficient B			3.63020e-01
Coefficient C			-1.29600e-04
Coefficient D			-1.09000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	119.18	J/mol×K	273.00	Calculated Property
Cp,gas	141.68	J/mol×K	353.78	Calculated Property
Cp,gas	162.34	J/mol×K	434.56	Calculated Property
Cp,gas	181.12	J/mol×K	515.33	Calculated Property
Cp,gas	197.99	J/mol×K	596.11	Calculated Property
Cp,gas	212.92	J/mol×K	676.89	Calculated Property
Cp,gas	225.86	J/mol×K	757.67	Calculated Property
Cp,gas	236.79	J/mol×K	838.44	Calculated Property
Cp,gas	245.67	J/mol×K	919.22	Calculated Property
Cp,gas	252.47	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0525196; 0.0002839]	Pa×s	[237.99; 428.25]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.46966e+01
Coefficient B			2.79639e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			237.99
Temperature range, max.			428.25
η	0.0525196	Pa×s	237.99	Calculated Property
η	0.0201383	Pa×s	259.13	Calculated Property
η	0.0089233	Pa×s	280.27	Calculated Property
η	0.0044321	Pa×s	301.41	Calculated Property
η	0.0024129	Pa×s	322.55	Calculated Property
η	0.0014156	Pa×s	343.69	Calculated Property
η	0.0008835	Pa×s	364.83	Calculated Property
η	0.0005806	Pa×s	385.97	Calculated Property
η	0.0003986	Pa×s	407.11	Calculated Property
η	0.0002839	Pa×s	428.25	Calculated Property

Similar Compounds

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

Mixtures

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

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Measurement of the thermodynamic properties for the reactive system ethylene glycol acetic acid
• Joback Method
• McGowan Method
• NIST Webbook

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