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

InChI

InChI=1S/C20H36O4/c1-5-7-8-9-10-11-12-13-16-23-19(21)14-15-20(22)24-18(6-2)17(3)4/h14-15,17-18H,5-13,16H2,1-4H3/b15-14+

InChI Key

RJHDNPFGRVPSKK-CCEZHUSRSA-N

Formula

C20H36O4

SMILES

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

Molecular Weight¹

340.50

• 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	[447.80; 1037.86]	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			1.79800e+01
Coefficient B			1.82608e+00
Coefficient C			-9.65200e-04
Coefficient D			1.59000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	447.80	J/mol×K	273.00	Calculated Property
Cp,gas	550.24	J/mol×K	353.78	Calculated Property
Cp,gas	642.29	J/mol×K	434.56	Calculated Property
Cp,gas	724.45	J/mol×K	515.33	Calculated Property
Cp,gas	797.22	J/mol×K	596.11	Calculated Property
Cp,gas	861.11	J/mol×K	676.89	Calculated Property
Cp,gas	916.61	J/mol×K	757.67	Calculated Property
Cp,gas	964.24	J/mol×K	838.44	Calculated Property
Cp,gas	1004.49	J/mol×K	919.22	Calculated Property
Cp,gas	1037.86	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0025134; 0.0000569]	Pa×s	[364.74; 671.39]	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			-1.42796e+01
Coefficient B			3.02496e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			364.74
Temperature range, max.			671.39
η	0.0025134	Pa×s	364.74	Calculated Property
η	0.0012375	Pa×s	398.81	Calculated Property
η	0.0006812	Pa×s	432.88	Calculated Property
η	0.0004091	Pa×s	466.96	Calculated Property
η	0.0002633	Pa×s	501.03	Calculated Property
η	0.0001793	Pa×s	535.10	Calculated Property
η	0.0001278	Pa×s	569.17	Calculated Property
η	0.0000947	Pa×s	603.24	Calculated Property
η	0.0000724	Pa×s	637.31	Calculated Property
η	0.0000569	Pa×s	671.39	Calculated Property

Similar Compounds

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

Sources

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

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