Chemical Properties of Sebacic acid, octyl 2-phenylphenyl ester

InChI

InChI=1S/C30H42O4/c1-2-3-4-5-10-18-25-33-29(31)23-14-8-6-7-9-15-24-30(32)34-28-22-17-16-21-27(28)26-19-12-11-13-20-26/h11-13,16-17,19-22H,2-10,14-15,18,23-25H2,1H3

InChI Key

RCMVDPKDZPTNSI-UHFFFAOYSA-N

Formula

C30H42O4

SMILES

CCCCCCCCOC(=O)CCCCCCCCC(=O)Oc1ccccc1-c1ccccc1

Molecular Weight¹

466.66

• 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	[562.61; 1343.19]	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			-2.70750e+01
Coefficient B			2.52692e+00
Coefficient C			-1.41436e-03
Coefficient D			2.57700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	562.61	J/mol×K	273.00	Calculated Property
Cp,gas	701.28	J/mol×K	353.78	Calculated Property
Cp,gas	825.07	J/mol×K	434.56	Calculated Property
Cp,gas	934.79	J/mol×K	515.33	Calculated Property
Cp,gas	1031.25	J/mol×K	596.11	Calculated Property
Cp,gas	1115.26	J/mol×K	676.89	Calculated Property
Cp,gas	1187.65	J/mol×K	757.67	Calculated Property
Cp,gas	1249.22	J/mol×K	838.44	Calculated Property
Cp,gas	1300.79	J/mol×K	919.22	Calculated Property
Cp,gas	1343.19	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0002090; 0.0000175]	Pa×s	[577.88; 909.96]	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			-1.52744e+01
Coefficient B			3.93026e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			577.88
Temperature range, max.			909.96
η	0.0002090	Pa×s	577.88	Calculated Property
η	0.0001389	Pa×s	614.78	Calculated Property
η	0.0000967	Pa×s	651.68	Calculated Property
η	0.0000700	Pa×s	688.57	Calculated Property
η	0.0000524	Pa×s	725.47	Calculated Property
η	0.0000403	Pa×s	762.37	Calculated Property
η	0.0000318	Pa×s	799.27	Calculated Property
η	0.0000256	Pa×s	836.16	Calculated Property
η	0.0000210	Pa×s	873.06	Calculated Property
η	0.0000175	Pa×s	909.96	Calculated Property

Similar Compounds

Find more compounds similar to Sebacic acid, octyl 2-phenylphenyl ester.

Sources

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

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