Chemical Properties of Sebacic acid, octyl 1-phenylpropyl ester

InChI

InChI=1S/C27H44O4/c1-3-5-6-7-12-18-23-30-26(28)21-16-10-8-9-11-17-22-27(29)31-25(4-2)24-19-14-13-15-20-24/h13-15,19-20,25H,3-12,16-18,21-23H2,1-2H3

InChI Key

WQJHPOMKNNGSAP-UHFFFAOYSA-N

Formula

C27H44O4

SMILES

CCCCCCCCOC(=O)CCCCCCCCC(=O)OC(CC)c1ccccc1

Molecular Weight¹

432.64

• ω : Acentric Factor.
• 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).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Standard Gibbs free energy of formation, 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	[553.36; 1310.52]	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			-6.42400e+00
Coefficient B			2.38624e+00
Coefficient C			-1.29020e-03
Coefficient D			2.20900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	553.36	J/mol×K	273.00	Calculated Property
Cp,gas	686.08	J/mol×K	353.78	Calculated Property
Cp,gas	805.02	J/mol×K	434.56	Calculated Property
Cp,gas	910.88	J/mol×K	515.33	Calculated Property
Cp,gas	1004.36	J/mol×K	596.11	Calculated Property
Cp,gas	1086.16	J/mol×K	676.89	Calculated Property
Cp,gas	1156.98	J/mol×K	757.67	Calculated Property
Cp,gas	1217.51	J/mol×K	838.44	Calculated Property
Cp,gas	1268.46	J/mol×K	919.22	Calculated Property
Cp,gas	1310.52	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0005308; 0.0000250]	Pa×s	[490.13; 823.01]	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			-1.50971e+01
Coefficient B			3.70344e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			490.13
Temperature range, max.			823.01
η	0.0005308	Pa×s	490.13	Calculated Property
η	0.0003124	Pa×s	527.12	Calculated Property
η	0.0001971	Pa×s	564.10	Calculated Property
η	0.0001316	Pa×s	601.09	Calculated Property
η	0.0000921	Pa×s	638.08	Calculated Property
η	0.0000670	Pa×s	675.06	Calculated Property
η	0.0000504	Pa×s	712.05	Calculated Property
η	0.0000390	Pa×s	749.04	Calculated Property
η	0.0000309	Pa×s	786.02	Calculated Property
η	0.0000250	Pa×s	823.01	Calculated Property

Similar Compounds

Find more compounds similar to Sebacic acid, octyl 1-phenylpropyl 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.