Chemical Properties of 1,2-Ethanediol, monoacetate (CAS 542-59-6)

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

CAS

542-59-6

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

• 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.
• 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°	-387.94	kJ/mol	Joback Calculated Property
ΔfH°gas	-522.92	kJ/mol	Joback Calculated Property
ΔfusH°	12.99	kJ/mol	Joback Calculated Property
ΔvapH°	63.90 ± 0.30	kJ/mol	NIST
log10WS	0.38		Crippen Calculated Property
logPoct/wat	-0.458		Crippen Calculated Property
McVol	80.530	ml/mol	McGowan Calculated Property
Pc	4665.71	kPa	Joback Calculated Property
Inp	[844.00; 858.70]
Inp	858.70		NIST
Inp	844.00		NIST
Tboil	461.20	K	NIST
Tc	632.96	K	Joback Calculated Property
Tfus	267.82	K	Joback Calculated Property
Vc	0.302	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[165.79; 201.81]	J/mol×K	[459.39; 632.96]
Cp,gas	165.79	J/mol×K	459.39	Joback Calculated Property
Cp,gas	172.31	J/mol×K	488.32	Joback Calculated Property
Cp,gas	178.62	J/mol×K	517.25	Joback Calculated Property
Cp,gas	184.73	J/mol×K	546.17	Joback Calculated Property
Cp,gas	190.63	J/mol×K	575.10	Joback Calculated Property
Cp,gas	196.32	J/mol×K	604.03	Joback Calculated Property
Cp,gas	201.81	J/mol×K	632.96	Joback Calculated Property
Cp,liquid	203.00	J/mol×K	298.15	NIST
η	[0.0002191; 0.0164842]	Pa×s	[267.82; 459.39]
η	0.0164842	Pa×s	267.82	Joback Calculated Property
η	0.0054671	Pa×s	299.75	Joback Calculated Property
η	0.0022425	Pa×s	331.68	Joback Calculated Property
η	0.0010757	Pa×s	363.61	Joback Calculated Property
η	0.0005809	Pa×s	395.53	Joback Calculated Property
η	0.0003440	Pa×s	427.46	Joback Calculated Property
η	0.0002191	Pa×s	459.39	Joback Calculated Property
ΔvapH	55.10	kJ/mol	405.50	NIST
Pvap	[2.22; 72.79]	kPa	[363.15; 448.78]
Pvap	2.22	kPa	363.15	Measure...
Pvap	3.79	kPa	374.42	Measure...
Pvap	13.81	kPa	403.66	Measure...
Pvap	23.64	kPa	417.65	Measure...
Pvap	33.46	kPa	427.41	Measure...
Pvap	43.30	kPa	434.90	Measure...
Pvap	53.13	kPa	440.57	Measure...
Pvap	62.95	kPa	444.25	Measure...
Pvap	72.79	kPa	448.78	Measure...

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

• 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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