Chemical Properties of Sebacic acid, cis-11-tetradecenyl isohexyl ester

InChI

InChI=1S/C30H56O4/c1-4-5-6-7-8-9-10-11-12-15-18-21-26-33-29(31)24-19-16-13-14-17-20-25-30(32)34-27-22-23-28(2)3/h5-6,28H,4,7-27H2,1-3H3

InChI Key

PCWVIMLHSDUBEP-WAYWQWQTSA-N

Formula

C30H56O4

SMILES

CC/C=C\CCCCCCCCCCOC(=O)CCCCCCCCC(=O)OCCCC(C)C

Molecular Weight¹

480.77

• 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).
• 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 Pressure, 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	[660.25; 1553.23]	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			1.05720e+01
Coefficient B			2.77016e+00
Coefficient C			-1.50600e-03
Coefficient D			2.78500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	660.25	J/mol×K	273.00	Calculated Property
Cp,gas	814.44	J/mol×K	353.78	Calculated Property
Cp,gas	952.82	J/mol×K	434.56	Calculated Property
Cp,gas	1076.30	J/mol×K	515.33	Calculated Property
Cp,gas	1185.73	J/mol×K	596.11	Calculated Property
Cp,gas	1282.02	J/mol×K	676.89	Calculated Property
Cp,gas	1366.03	J/mol×K	757.67	Calculated Property
Cp,gas	1438.65	J/mol×K	838.44	Calculated Property
Cp,gas	1500.76	J/mol×K	919.22	Calculated Property
Cp,gas	1553.23	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0004046; 0.0000123]	Pa×s	[492.44; 876.22]	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			-1.57906e+01
Coefficient B			3.92874e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			492.44
Temperature range, max.			876.22
η	0.0004046	Pa×s	492.44	Calculated Property
η	0.0002143	Pa×s	535.08	Calculated Property
η	0.0001246	Pa×s	577.72	Calculated Property
η	0.0000781	Pa×s	620.37	Calculated Property
η	0.0000520	Pa×s	663.01	Calculated Property
η	0.0000363	Pa×s	705.65	Calculated Property
η	0.0000264	Pa×s	748.29	Calculated Property
η	0.0000199	Pa×s	790.93	Calculated Property
η	0.0000155	Pa×s	833.57	Calculated Property
η	0.0000123	Pa×s	876.22	Calculated Property

Similar Compounds

Find more compounds similar to Sebacic acid, cis-11-tetradecenyl isohexyl 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

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.