Chemical Properties of Ethyl hydrogen fumarate (CAS 2459-05-4)

InChI

InChI=1S/C6H8O4/c1-2-10-6(9)4-3-5(7)8/h3-4H,2H2,1H3,(H,7,8)/b4-3+

InChI Key

XLYMOEINVGRTEX-ONEGZZNKSA-N

Formula

C6H8O4

SMILES

CCOC(=O)C=CC(=O)O

Molecular Weight¹

144.13

CAS

2459-05-4

Other Names

• Monoethyl fumarate
• Fumaric acid monoethyl ester
• 2-Butenedioic acid (E)-, monoethyl ester
• ethyl fumarate

• 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).
• 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

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[148.72; 317.18]	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			1.32610e+01
Coefficient B			5.89820e-01
Coefficient C			-3.64400e-04
Coefficient D			7.85000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	148.72	J/mol×K	273.00	Calculated Property
Cp,gas	179.79	J/mol×K	353.78	Calculated Property
Cp,gas	207.20	J/mol×K	434.56	Calculated Property
Cp,gas	231.18	J/mol×K	515.33	Calculated Property
Cp,gas	252.00	J/mol×K	596.11	Calculated Property
Cp,gas	269.89	J/mol×K	676.89	Calculated Property
Cp,gas	285.10	J/mol×K	757.67	Calculated Property
Cp,gas	297.89	J/mol×K	838.44	Calculated Property
Cp,gas	308.50	J/mol×K	919.22	Calculated Property
Cp,gas	317.18	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0014764; 0.0002400]	Pa×s	[355.23; 523.17]	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			-1.21773e+01
Coefficient B			2.01030e+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.			355.23
Temperature range, max.			523.17
η	0.0014764	Pa×s	355.23	Calculated Property
η	0.0011131	Pa×s	373.89	Calculated Property
η	0.0008621	Pa×s	392.55	Calculated Property
η	0.0006833	Pa×s	411.21	Calculated Property
η	0.0005526	Pa×s	429.87	Calculated Property
η	0.0004549	Pa×s	448.53	Calculated Property
η	0.0003804	Pa×s	467.19	Calculated Property
η	0.0003224	Pa×s	485.85	Calculated Property
η	0.0002767	Pa×s	504.51	Calculated Property
η	0.0002400	Pa×s	523.17	Calculated Property

Similar Compounds

Find more compounds similar to Ethyl hydrogen fumarate.

Sources

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

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