Chemical Properties of Fumaric acid, 2-methylpentyl 3-methylbut-2-yl ester

InChI

InChI=1S/C15H26O4/c1-6-7-12(4)10-18-14(16)8-9-15(17)19-13(5)11(2)3/h8-9,11-13H,6-7,10H2,1-5H3/b9-8+

InChI Key

DLRBWAPHIAZTHZ-CMDGGOBGSA-N

Formula

C15H26O4

SMILES

CCCC(C)COC(=O)C=CC(=O)OC(C)C(C)C

Molecular Weight¹

270.36

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l 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	[341.42; 780.44]	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			2.08430e+01
Coefficient B			1.35700e+00
Coefficient C			-6.96400e-04
Coefficient D			9.90000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	341.42	J/mol×K	273.00	Calculated Property
Cp,gas	418.14	J/mol×K	353.78	Calculated Property
Cp,gas	487.15	J/mol×K	434.56	Calculated Property
Cp,gas	548.76	J/mol×K	515.33	Calculated Property
Cp,gas	603.27	J/mol×K	596.11	Calculated Property
Cp,gas	651.01	J/mol×K	676.89	Calculated Property
Cp,gas	692.28	J/mol×K	757.67	Calculated Property
Cp,gas	727.40	J/mol×K	838.44	Calculated Property
Cp,gas	756.69	J/mol×K	919.22	Calculated Property
Cp,gas	780.44	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0081103; 0.0000942]	Pa×s	[293.39; 591.96]	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			-1.36492e+01
Coefficient B			2.59198e+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.			293.39
Temperature range, max.			591.96
η	0.0081103	Pa×s	293.39	Calculated Property
η	0.0033057	Pa×s	326.56	Calculated Property
η	0.0015899	Pa×s	359.74	Calculated Property
η	0.0008653	Pa×s	392.91	Calculated Property
η	0.0005177	Pa×s	426.09	Calculated Property
η	0.0003336	Pa×s	459.26	Calculated Property
η	0.0002281	Pa×s	492.44	Calculated Property
η	0.0001636	Pa×s	525.61	Calculated Property
η	0.0001221	Pa×s	558.79	Calculated Property
η	0.0000942	Pa×s	591.96	Calculated Property

Similar Compounds

Find more compounds similar to Fumaric acid, 2-methylpentyl 3-methylbut-2-yl ester.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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