Chemical Properties of Fumaric acid, isobutyl 2-methylpent-3-yl ester

InChI

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

InChI Key

MUZZLMBDKAWMGH-BQYQJAHWSA-N

Formula

C14H24O4

SMILES

CCC(OC(=O)/C=C/C(=O)OCC(C)C)C(C)C

Molecular Weight¹

256.34

• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[320.20; 728.85]	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			2.17520e+01
Coefficient B			1.26200e+00
Coefficient C			-6.42000e-04
Coefficient D			8.71000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	320.20	J/mol×K	273.00	Calculated Property
Cp,gas	391.72	J/mol×K	353.78	Calculated Property
Cp,gas	456.07	J/mol×K	434.56	Calculated Property
Cp,gas	513.53	J/mol×K	515.33	Calculated Property
Cp,gas	564.36	J/mol×K	596.11	Calculated Property
Cp,gas	608.85	J/mol×K	676.89	Calculated Property
Cp,gas	647.27	J/mol×K	757.67	Calculated Property
Cp,gas	679.89	J/mol×K	838.44	Calculated Property
Cp,gas	706.99	J/mol×K	919.22	Calculated Property
Cp,gas	728.85	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0095641; 0.0001037]	Pa×s	[282.12; 576.90]	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			-1.35035e+01
Coefficient B			2.49782e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			282.12
Temperature range, max.			576.90
η	0.0095641	Pa×s	282.12	Calculated Property
η	0.0038078	Pa×s	314.87	Calculated Property
η	0.0018033	Pa×s	347.63	Calculated Property
η	0.0009713	Pa×s	380.38	Calculated Property
η	0.0005771	Pa×s	413.13	Calculated Property
η	0.0003702	Pa×s	445.89	Calculated Property
η	0.0002523	Pa×s	478.64	Calculated Property
η	0.0001806	Pa×s	511.39	Calculated Property
η	0.0001346	Pa×s	544.14	Calculated Property
η	0.0001037	Pa×s	576.90	Calculated Property

Similar Compounds

Find more compounds similar to Fumaric acid, isobutyl 2-methylpent-3-yl ester.

Sources

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

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