Chemical Properties of Butanedioic acid, ethyl methyl ester (CAS 627-73-6)

InChI

InChI=1S/C7H12O4/c1-3-11-7(9)5-4-6(8)10-2/h3-5H2,1-2H3

InChI Key

HXXRQBBSGZDQNP-UHFFFAOYSA-N

Formula

C7H12O4

SMILES

CCOC(=O)CCC(=O)OC

Molecular Weight¹

160.17

CAS

627-73-6

Other Names

• Ethyl methyl ester of butanedioic acid
• Butandioic acid ethyl methyl ester
• Ethyl methyl succinate
• Methyl ethyl succinate
• Ethyl methyl butanedioate
• Butanedioic acid, 1-ethyl 4-methyl ester

• 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_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (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).
• 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°	-459.78	kJ/mol	Joback Calculated Property
ΔfH°gas	-677.41	kJ/mol	Joback Calculated Property
ΔfusH°	19.46	kJ/mol	Joback Calculated Property
ΔvapH°	49.49	kJ/mol	Joback Calculated Property
log10WS	-0.48		Crippen Calculated Property
logPoct/wat	0.503		Crippen Calculated Property
McVol	124.370	ml/mol	McGowan Calculated Property
Pc	3093.29	kPa	Joback Calculated Property
Inp	[1070.00; 1121.00]
Inp	1116.00		NIST
Inp	1120.00		NIST
Inp	Outlier 1070.00		NIST
Inp	1120.00		NIST
Inp	1121.00		NIST
Inp	1120.00		NIST
I	[1605.00; 1642.00]
I	1641.00		NIST
I	1642.00		NIST
I	1632.00		NIST
I	1631.00		NIST
I	1631.00		NIST
I	1632.00		NIST
I	Outlier 1605.00		NIST
I	1630.00		NIST
I	1641.00		NIST
I	1632.00		NIST
Tboil	512.14	K	Joback Calculated Property
Tc	697.87	K	Joback Calculated Property
Tfus	312.97	K	Joback Calculated Property
Vc	0.475	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[278.30; 335.29]	J/mol×K	[512.14; 697.87]
Cp,gas	278.30	J/mol×K	512.14	Joback Calculated Property
Cp,gas	288.74	J/mol×K	543.09	Joback Calculated Property
Cp,gas	298.81	J/mol×K	574.05	Joback Calculated Property
Cp,gas	308.51	J/mol×K	605.00	Joback Calculated Property
Cp,gas	317.83	J/mol×K	635.96	Joback Calculated Property
Cp,gas	326.76	J/mol×K	666.91	Joback Calculated Property
Cp,gas	335.29	J/mol×K	697.87	Joback Calculated Property
η	[0.0002482; 0.0020676]	Pa×s	[312.97; 512.14]
η	0.0020676	Pa×s	312.97	Joback Calculated Property
η	0.0012258	Pa×s	346.17	Joback Calculated Property
η	0.0007964	Pa×s	379.36	Joback Calculated Property
η	0.0005546	Pa×s	412.56	Joback Calculated Property
η	0.0004076	Pa×s	445.75	Joback Calculated Property
η	0.0003126	Pa×s	478.94	Joback Calculated Property
η	0.0002482	Pa×s	512.14	Joback Calculated Property

Similar Compounds

Find more compounds similar to Butanedioic acid, ethyl methyl ester.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.