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

InChI

InChI=1S/C21H38O4/c1-6-7-8-9-10-11-12-13-14-17-24-19(22)15-16-20(23)25-18(2)21(3,4)5/h15-16,18H,6-14,17H2,1-5H3/b16-15+

InChI Key

IKYHCCHPDCEKEK-FOCLMDBBSA-N

Formula

C21H38O4

SMILES

CCCCCCCCCCCOC(=O)C=CC(=O)OC(C)C(C)(C)C

Molecular Weight¹

354.52

• 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	[467.87; 1090.38]	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			-5.72000e+00
Coefficient B			2.04100e+00
Coefficient C			-1.18820e-03
Coefficient D			2.43300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	467.87	J/mol×K	273.00	Calculated Property
Cp,gas	578.40	J/mol×K	353.78	Calculated Property
Cp,gas	676.80	J/mol×K	434.56	Calculated Property
Cp,gas	763.82	J/mol×K	515.33	Calculated Property
Cp,gas	840.26	J/mol×K	596.11	Calculated Property
Cp,gas	906.86	J/mol×K	676.89	Calculated Property
Cp,gas	964.40	J/mol×K	757.67	Calculated Property
Cp,gas	1013.66	J/mol×K	838.44	Calculated Property
Cp,gas	1055.39	J/mol×K	919.22	Calculated Property
Cp,gas	1090.38	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0016700; 0.0000449]	Pa×s	[393.43; 688.15]	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			-1.48382e+01
Coefficient B			3.32184e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			393.43
Temperature range, max.			688.15
η	0.0016700	Pa×s	393.43	Calculated Property
η	0.0008729	Pa×s	426.18	Calculated Property
η	0.0005005	Pa×s	458.92	Calculated Property
η	0.0003091	Pa×s	491.67	Calculated Property
η	0.0002027	Pa×s	524.42	Calculated Property
η	0.0001397	Pa×s	557.16	Calculated Property
η	0.0001003	Pa×s	589.91	Calculated Property
η	0.0000746	Pa×s	622.65	Calculated Property
η	0.0000572	Pa×s	655.40	Calculated Property
η	0.0000449	Pa×s	688.15	Calculated Property

Similar Compounds

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

Sources

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

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