Chemical Properties of Sebacic acid, butyl 4-isopropylphenyl ester

InChI

InChI=1S/C23H36O4/c1-4-5-18-26-22(24)12-10-8-6-7-9-11-13-23(25)27-21-16-14-20(15-17-21)19(2)3/h14-17,19H,4-13,18H2,1-3H3

InChI Key

XCGJXFPNKNJGIF-UHFFFAOYSA-N

Formula

C23H36O4

SMILES

CCCCOC(=O)CCCCCCCCC(=O)Oc1ccc(C(C)C)cc1

Molecular Weight¹

376.54

• 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	[471.05; 1101.11]	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			1.15110e+01
Coefficient B			1.94676e+00
Coefficient C			-1.00556e-03
Coefficient D			1.48400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	471.05	J/mol×K	273.00	Calculated Property
Cp,gas	580.95	J/mol×K	353.78	Calculated Property
Cp,gas	679.78	J/mol×K	434.56	Calculated Property
Cp,gas	768.01	J/mol×K	515.33	Calculated Property
Cp,gas	846.11	J/mol×K	596.11	Calculated Property
Cp,gas	914.55	J/mol×K	676.89	Calculated Property
Cp,gas	973.80	J/mol×K	757.67	Calculated Property
Cp,gas	1024.33	J/mol×K	838.44	Calculated Property
Cp,gas	1066.61	J/mol×K	919.22	Calculated Property
Cp,gas	1101.11	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0007560; 0.0000459]	Pa×s	[457.57; 751.71]	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			-1.43460e+01
Coefficient B			3.27554e+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.			457.57
Temperature range, max.			751.71
η	0.0007560	Pa×s	457.57	Calculated Property
η	0.0004691	Pa×s	490.25	Calculated Property
η	0.0003090	Pa×s	522.94	Calculated Property
η	0.0002138	Pa×s	555.62	Calculated Property
η	0.0001541	Pa×s	588.30	Calculated Property
η	0.0001149	Pa×s	620.98	Calculated Property
η	0.0000883	Pa×s	653.67	Calculated Property
η	0.0000695	Pa×s	686.35	Calculated Property
η	0.0000560	Pa×s	719.03	Calculated Property
η	0.0000459	Pa×s	751.71	Calculated Property

Similar Compounds

Find more compounds similar to Sebacic acid, butyl 4-isopropylphenyl ester.

Sources

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

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