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

InChI

InChI=1S/C26H32O4/c1-19(2)11-10-18-29-25(27)22-15-6-7-16-23(22)26(28)30-24-17-9-8-14-21(24)20-12-4-3-5-13-20/h3-5,8-9,12-14,17,19,22-23H,6-7,10-11,15-16,18H2,1-2H3

InChI Key

AANLGCSUWATOMO-UHFFFAOYSA-N

Formula

C26H32O4

SMILES

CC(C)CCCOC(=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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	48.91	kJ/mol	Joback Calculated Property
logPoct/wat	6.045		Crippen Calculated Property
McVol	333.700	ml/mol	McGowan Calculated Property
Inp	[2922.00; 2922.00]
Inp	2922.00		NIST
Inp	2922.00		NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l 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	[441.58; 1129.09]	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			-8.47870e+01
Coefficient B			2.24844e+00
Coefficient C			-1.22556e-03
Coefficient D			1.91000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	441.58	J/mol×K	273.00	Calculated Property
Cp,gas	565.73	J/mol×K	353.78	Calculated Property
Cp,gas	676.53	J/mol×K	434.56	Calculated Property
Cp,gas	774.58	J/mol×K	515.33	Calculated Property
Cp,gas	860.49	J/mol×K	596.11	Calculated Property
Cp,gas	934.87	J/mol×K	676.89	Calculated Property
Cp,gas	998.31	J/mol×K	757.67	Calculated Property
Cp,gas	1051.43	J/mol×K	838.44	Calculated Property
Cp,gas	1094.82	J/mol×K	919.22	Calculated Property
Cp,gas	1129.09	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0005084; 0.0000378]	Pa×s	[520.94; 854.32]	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			-1.42414e+01
Coefficient B			3.46802e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			520.94
Temperature range, max.			854.32
η	0.0005084	Pa×s	520.94	Calculated Property
η	0.0003268	Pa×s	557.98	Calculated Property
η	0.0002220	Pa×s	595.02	Calculated Property
η	0.0001577	Pa×s	632.07	Calculated Property
η	0.0001164	Pa×s	669.11	Calculated Property
η	0.0000887	Pa×s	706.15	Calculated Property
η	0.0000694	Pa×s	743.19	Calculated Property
η	0.0000556	Pa×s	780.23	Calculated Property
η	0.0000455	Pa×s	817.28	Calculated Property
η	0.0000378	Pa×s	854.32	Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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