Chemical Properties of Sebacic acid, isobutyl 2-phenylphenyl ester

InChI

InChI=1S/C26H34O4/c1-21(2)20-29-25(27)18-10-5-3-4-6-11-19-26(28)30-24-17-13-12-16-23(24)22-14-8-7-9-15-22/h7-9,12-17,21H,3-6,10-11,18-20H2,1-2H3

InChI Key

OFNBLOCUWXSJST-UHFFFAOYSA-N

Formula

C26H34O4

SMILES

CC(C)COC(=O)CCCCCCCCC(=O)Oc1ccccc1-c1ccccc1

Molecular Weight¹

410.55

• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal melting (fusion) point, 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	[477.44; 1137.36]	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			-2.51210e+01
Coefficient B			2.15284e+00
Coefficient C			-1.19996e-03
Coefficient D			2.09600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	477.44	J/mol×K	273.00	Calculated Property
Cp,gas	595.60	J/mol×K	353.78	Calculated Property
Cp,gas	701.01	J/mol×K	434.56	Calculated Property
Cp,gas	794.32	J/mol×K	515.33	Calculated Property
Cp,gas	876.21	J/mol×K	596.11	Calculated Property
Cp,gas	947.32	J/mol×K	676.89	Calculated Property
Cp,gas	1008.33	J/mol×K	757.67	Calculated Property
Cp,gas	1059.90	J/mol×K	838.44	Calculated Property
Cp,gas	1102.69	J/mol×K	919.22	Calculated Property
Cp,gas	1137.36	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0004079; 0.0000295]	Pa×s	[517.80; 833.35]	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			-1.47405e+01
Coefficient B			3.59144e+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.			517.80
Temperature range, max.			833.35
η	0.0004079	Pa×s	517.80	Calculated Property
η	0.0002627	Pa×s	552.86	Calculated Property
η	0.0001783	Pa×s	587.92	Calculated Property
η	0.0001265	Pa×s	622.98	Calculated Property
η	0.0000930	Pa×s	658.04	Calculated Property
η	0.0000706	Pa×s	693.11	Calculated Property
η	0.0000550	Pa×s	728.17	Calculated Property
η	0.0000438	Pa×s	763.23	Calculated Property
η	0.0000357	Pa×s	798.29	Calculated Property
η	0.0000295	Pa×s	833.35	Calculated Property

Similar Compounds

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

Sources

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

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