Chemical Properties of Sebacic acid, hexyl phenyl ester

InChI

InChI=1S/C22H34O4/c1-2-3-4-14-19-25-21(23)17-12-7-5-6-8-13-18-22(24)26-20-15-10-9-11-16-20/h9-11,15-16H,2-8,12-14,17-19H2,1H3

InChI Key

WODRRBVYDRCQRN-UHFFFAOYSA-N

Formula

C22H34O4

SMILES

CCCCCCOC(=O)CCCCCCCCC(=O)Oc1ccccc1

Molecular Weight¹

362.50

• 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	[447.60; 1052.02]	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			-1.97000e-01
Coefficient B			1.90532e+00
Coefficient C			-1.01500e-03
Coefficient D			1.61900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	447.60	J/mol×K	273.00	Calculated Property
Cp,gas	554.00	J/mol×K	353.78	Calculated Property
Cp,gas	649.38	J/mol×K	434.56	Calculated Property
Cp,gas	734.28	J/mol×K	515.33	Calculated Property
Cp,gas	809.20	J/mol×K	596.11	Calculated Property
Cp,gas	874.65	J/mol×K	676.89	Calculated Property
Cp,gas	931.15	J/mol×K	757.67	Calculated Property
Cp,gas	979.20	J/mol×K	838.44	Calculated Property
Cp,gas	1019.32	J/mol×K	919.22	Calculated Property
Cp,gas	1052.02	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0008884; 0.0000574]	Pa×s	[448.78; 729.62]	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			-1.41449e+01
Coefficient B			3.19482e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			448.78
Temperature range, max.			729.62
η	0.0008884	Pa×s	448.78	Calculated Property
η	0.0005593	Pa×s	479.98	Calculated Property
η	0.0003725	Pa×s	511.19	Calculated Property
η	0.0002600	Pa×s	542.39	Calculated Property
η	0.0001887	Pa×s	573.60	Calculated Property
η	0.0001416	Pa×s	604.80	Calculated Property
η	0.0001093	Pa×s	636.00	Calculated Property
η	0.0000864	Pa×s	667.21	Calculated Property
η	0.0000698	Pa×s	698.41	Calculated Property
η	0.0000574	Pa×s	729.62	Calculated Property

Similar Compounds

Find more compounds similar to Sebacic acid, hexyl phenyl ester.

Sources

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

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