Chemical Properties of Sebacic acid, isobutyl 1-phenylpropyl ester

InChI

InChI=1S/C23H36O4/c1-4-21(20-14-10-9-11-15-20)27-23(25)17-13-8-6-5-7-12-16-22(24)26-18-19(2)3/h9-11,14-15,19,21H,4-8,12-13,16-18H2,1-3H3

InChI Key

GMGDYQDGDOQPSQ-UHFFFAOYSA-N

Formula

C23H36O4

SMILES

CCC(OC(=O)CCCCCCCCC(=O)OCC(C)C)c1ccccc1

Molecular Weight¹

376.53

• 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	[468.19; 1104.69]	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			-4.47000e+00
Coefficient B			2.01216e+00
Coefficient C			-1.07580e-03
Coefficient D			1.72800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	468.19	J/mol×K	273.00	Calculated Property
Cp,gas	580.39	J/mol×K	353.78	Calculated Property
Cp,gas	680.95	J/mol×K	434.56	Calculated Property
Cp,gas	770.41	J/mol×K	515.33	Calculated Property
Cp,gas	849.32	J/mol×K	596.11	Calculated Property
Cp,gas	918.22	J/mol×K	676.89	Calculated Property
Cp,gas	977.66	J/mol×K	757.67	Calculated Property
Cp,gas	1028.19	J/mol×K	838.44	Calculated Property
Cp,gas	1070.35	J/mol×K	919.22	Calculated Property
Cp,gas	1104.69	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0011707; 0.0000421]	Pa×s	[430.05; 748.04]	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			-1.45740e+01
Coefficient B			3.36462e+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.			430.05
Temperature range, max.			748.04
η	0.0011707	Pa×s	430.05	Calculated Property
η	0.0006463	Pa×s	465.38	Calculated Property
η	0.0003881	Pa×s	500.71	Calculated Property
η	0.0002492	Pa×s	536.05	Calculated Property
η	0.0001690	Pa×s	571.38	Calculated Property
η	0.0001200	Pa×s	606.71	Calculated Property
η	0.0000884	Pa×s	642.04	Calculated Property
η	0.0000673	Pa×s	677.38	Calculated Property
η	0.0000526	Pa×s	712.71	Calculated Property
η	0.0000421	Pa×s	748.04	Calculated Property

Similar Compounds

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

Sources

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

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