Chemical Properties of Fumaric acid, 3,3-dimethylbut-2-yl pentyl ester

InChI

InChI=1S/C15H26O4/c1-6-7-8-11-18-13(16)9-10-14(17)19-12(2)15(3,4)5/h9-10,12H,6-8,11H2,1-5H3/b10-9+

InChI Key

LHQZLZLXHXKNQV-MDZDMXLPSA-N

Formula

C15H26O4

SMILES

CCCCCOC(=O)C=CC(=O)OC(C)C(C)(C)C

Molecular Weight¹

270.36

• 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).
• 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, Ionization energy 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	[340.59; 780.83]	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			-2.66000e-01
Coefficient B			1.47100e+00
Coefficient C			-8.61800e-04
Coefficient D			1.71900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	340.59	J/mol×K	273.00	Calculated Property
Cp,gas	419.89	J/mol×K	353.78	Calculated Property
Cp,gas	490.33	J/mol×K	434.56	Calculated Property
Cp,gas	552.45	J/mol×K	515.33	Calculated Property
Cp,gas	606.79	J/mol×K	596.11	Calculated Property
Cp,gas	653.89	J/mol×K	676.89	Calculated Property
Cp,gas	694.30	J/mol×K	757.67	Calculated Property
Cp,gas	728.57	J/mol×K	838.44	Calculated Property
Cp,gas	757.23	J/mol×K	919.22	Calculated Property
Cp,gas	780.83	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0042809; 0.0000954]	Pa×s	[325.81; 591.91]	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			-1.39152e+01
Coefficient B			2.75688e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			325.81
Temperature range, max.			591.91
η	0.0042809	Pa×s	325.81	Calculated Property
η	0.0021174	Pa×s	355.38	Calculated Property
η	0.0011669	Pa×s	384.94	Calculated Property
η	0.0007001	Pa×s	414.51	Calculated Property
η	0.0004496	Pa×s	444.07	Calculated Property
η	0.0003052	Pa×s	473.64	Calculated Property
η	0.0002168	Pa×s	503.21	Calculated Property
η	0.0001600	Pa×s	532.77	Calculated Property
η	0.0001219	Pa×s	562.34	Calculated Property
η	0.0000954	Pa×s	591.91	Calculated Property

Similar Compounds

Find more compounds similar to Fumaric acid, 3,3-dimethylbut-2-yl pentyl ester.

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
These property values are available through the Cheméo API. A free account gives you an access key.