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

InChI

InChI=1S/C21H36O4/c1-15(2)9-8-14-24-20(22)17-11-5-6-12-18(17)21(23)25-19-13-7-4-10-16(19)3/h15-19H,4-14H2,1-3H3

InChI Key

SWXNIJYBJZYDKA-UHFFFAOYSA-N

Formula

C21H36O4

SMILES

CC(C)CCCOC(=O)C1CCCCC1C(=O)OC1CCCCC1C

Molecular Weight¹

352.51

• 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°	41.17	kJ/mol	Joback Calculated Property
logPoct/wat	4.894		Crippen Calculated Property
McVol	299.910	ml/mol	McGowan Calculated Property
Inp	[2378.00; 2378.00]
Inp	2378.00		NIST
Inp	2378.00		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	[411.62; 1102.96]	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			-8.63970e+01
Coefficient B			2.08636e+00
Coefficient C			-9.83800e-04
Coefficient D			8.68000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	411.62	J/mol×K	273.00	Calculated Property
Cp,gas	532.42	J/mol×K	353.78	Calculated Property
Cp,gas	641.59	J/mol×K	434.56	Calculated Property
Cp,gas	739.39	J/mol×K	515.33	Calculated Property
Cp,gas	826.10	J/mol×K	596.11	Calculated Property
Cp,gas	902.00	J/mol×K	676.89	Calculated Property
Cp,gas	967.36	J/mol×K	757.67	Calculated Property
Cp,gas	1022.46	J/mol×K	838.44	Calculated Property
Cp,gas	1067.57	J/mol×K	919.22	Calculated Property
Cp,gas	1102.96	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0022151; 0.0000935]	Pa×s	[402.37; 725.68]	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			-1.32159e+01
Coefficient B			2.85822e+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.			402.37
Temperature range, max.			725.68
η	0.0022151	Pa×s	402.37	Calculated Property
η	0.0012375	Pa×s	438.29	Calculated Property
η	0.0007551	Pa×s	474.22	Calculated Property
η	0.0004939	Pa×s	510.14	Calculated Property
η	0.0003417	Pa×s	546.06	Calculated Property
η	0.0002473	Pa×s	581.99	Calculated Property
η	0.0001859	Pa×s	617.91	Calculated Property
η	0.0001442	Pa×s	653.83	Calculated Property
η	0.0001148	Pa×s	689.76	Calculated Property
η	0.0000935	Pa×s	725.68	Calculated Property

Similar Compounds

Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, isohexyl 2-methylcyclohexyl 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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