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

• ω : Acentric Factor.
• 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).
• 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).
• 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
ω	0.5554		Relay (1.0) Calculated Property
ΔfG°	-612.68	kJ/mol	Joback Calculated Property
ΔfH°gas	-811.85	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	22.62	kJ/mol	Joback Calculated Property
ΔvapH°	62.31	kJ/mol	Relay (1.0) Calculated Property
IE	9.95	eV	Relay (1.0) Calculated Property
log10WS	-0.97		Relay (1.0) Calculated Property
logPoct/wat	0.503		Crippen Calculated Property
McVol	124.370	ml/mol	McGowan Calculated Property
Pc	2829.33	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	470.49	K	Relay (1.0) Calculated Property
Tc	646.83	K	Relay (1.0) Calculated Property
Tfus	252.40	K	Relay (1.0) Calculated Property
Vc	0.486	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[186.65; 396.68]	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			4.73430e+01
Coefficient B			5.59240e-01
Coefficient C			-1.67800e-04
Coefficient D			-4.21000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	186.65	J/mol×K	273.00	Calculated Property
Cp,gas	222.32	J/mol×K	353.78	Calculated Property
Cp,gas	255.22	J/mol×K	434.56	Calculated Property
Cp,gas	285.21	J/mol×K	515.33	Calculated Property
Cp,gas	312.17	J/mol×K	596.11	Calculated Property
Cp,gas	335.95	J/mol×K	676.89	Calculated Property
Cp,gas	356.42	J/mol×K	757.67	Calculated Property
Cp,gas	373.46	J/mol×K	838.44	Calculated Property
Cp,gas	386.92	J/mol×K	919.22	Calculated Property
Cp,gas	396.68	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0055821; 0.0002526]	Pa×s	[253.31; 459.17]	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			-1.20928e+01
Coefficient B			1.74900e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			253.31
Temperature range, max.			459.17
η	0.0055821	Pa×s	253.31	Calculated Property
η	0.0031511	Pa×s	276.18	Calculated Property
η	0.0019413	Pa×s	299.06	Calculated Property
η	0.0012813	Pa×s	321.93	Calculated Property
η	0.0008936	Pa×s	344.80	Calculated Property
η	0.0006517	Pa×s	367.68	Calculated Property
η	0.0004933	Pa×s	390.55	Calculated Property
η	0.0003850	Pa×s	413.42	Calculated Property
η	0.0003084	Pa×s	436.30	Calculated Property
η	0.0002526	Pa×s	459.17	Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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