Chemical Properties of Fumaric acid, butyl 4-methylpent-2-yl ester

InChI

InChI=1S/C14H24O4/c1-5-6-9-17-13(15)7-8-14(16)18-12(4)10-11(2)3/h7-8,11-12H,5-6,9-10H2,1-4H3/b8-7+

InChI Key

BEUCXRBZXKYBLN-BQYQJAHWSA-N

Formula

C14H24O4

SMILES

CCCCOC(=O)/C=C/C(=O)OC(C)CC(C)C

Molecular Weight¹

256.34

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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.
• 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

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[320.52; 728.31]	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			2.34340e+01
Coefficient B			1.25608e+00
Coefficient C			-6.38800e-04
Coefficient D			8.76000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	320.52	J/mol×K	273.00	Calculated Property
Cp,gas	391.73	J/mol×K	353.78	Calculated Property
Cp,gas	455.83	J/mol×K	434.56	Calculated Property
Cp,gas	513.08	J/mol×K	515.33	Calculated Property
Cp,gas	563.76	J/mol×K	596.11	Calculated Property
Cp,gas	608.14	J/mol×K	676.89	Calculated Property
Cp,gas	646.52	J/mol×K	757.67	Calculated Property
Cp,gas	679.15	J/mol×K	838.44	Calculated Property
Cp,gas	706.32	J/mol×K	919.22	Calculated Property
Cp,gas	728.31	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0061580; 0.0001125]	Pa×s	[297.12; 575.14]	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			-1.33695e+01
Coefficient B			2.46000e+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.			297.12
Temperature range, max.			575.14
η	0.0061580	Pa×s	297.12	Calculated Property
η	0.0028236	Pa×s	328.01	Calculated Property
η	0.0014807	Pa×s	358.90	Calculated Property
η	0.0008601	Pa×s	389.79	Calculated Property
η	0.0005411	Pa×s	420.68	Calculated Property
η	0.0003627	Pa×s	451.57	Calculated Property
η	0.0002559	Pa×s	482.46	Calculated Property
η	0.0001883	Pa×s	513.35	Calculated Property
η	0.0001435	Pa×s	544.25	Calculated Property
η	0.0001125	Pa×s	575.14	Calculated Property

Similar Compounds

Find more compounds similar to Fumaric acid, butyl 4-methylpent-2-yl ester.

Sources

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

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