Chemical Properties of 1,2-Cyclohexanedicarboxylic acid, 2-biphenyl hexyl ester

InChI

InChI=1S/C26H32O4/c1-2-3-4-12-19-29-25(27)22-16-8-9-17-23(22)26(28)30-24-18-11-10-15-21(24)20-13-6-5-7-14-20/h5-7,10-11,13-15,18,22-23H,2-4,8-9,12,16-17,19H2,1H3

InChI Key

RIFPUXXXQVKNID-UHFFFAOYSA-N

Formula

C26H32O4

SMILES

CCCCCCOC(=O)C1CCCCC1C(=O)Oc1ccccc1-c1ccccc1

Molecular Weight¹

408.53

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion 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_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Temperature, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, 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	[441.90; 1128.55]	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			-8.31050e+01
Coefficient B			2.24252e+00
Coefficient C			-1.22236e-03
Coefficient D			1.91500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	441.90	J/mol×K	273.00	Calculated Property
Cp,gas	565.74	J/mol×K	353.78	Calculated Property
Cp,gas	676.28	J/mol×K	434.56	Calculated Property
Cp,gas	774.13	J/mol×K	515.33	Calculated Property
Cp,gas	859.89	J/mol×K	596.11	Calculated Property
Cp,gas	934.16	J/mol×K	676.89	Calculated Property
Cp,gas	997.56	J/mol×K	757.67	Calculated Property
Cp,gas	1050.69	J/mol×K	838.44	Calculated Property
Cp,gas	1094.15	J/mol×K	919.22	Calculated Property
Cp,gas	1128.55	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0004496; 0.0000416]	Pa×s	[535.94; 853.15]	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			-1.41074e+01
Coefficient B			3.43020e+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.			535.94
Temperature range, max.			853.15
η	0.0004496	Pa×s	535.94	Calculated Property
η	0.0003029	Pa×s	571.19	Calculated Property
η	0.0002137	Pa×s	606.43	Calculated Property
η	0.0001566	Pa×s	641.68	Calculated Property
η	0.0001186	Pa×s	676.92	Calculated Property
η	0.0000923	Pa×s	712.17	Calculated Property
η	0.0000735	Pa×s	747.41	Calculated Property
η	0.0000598	Pa×s	782.66	Calculated Property
η	0.0000495	Pa×s	817.91	Calculated Property
η	0.0000416	Pa×s	853.15	Calculated Property

Similar Compounds

Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, 2-biphenyl hexyl ester.

Sources

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

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