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

InChI

InChI=1S/C19H32O4/c1-3-4-13-22-18(20)15-10-6-7-11-16(15)19(21)23-17-12-8-5-9-14(17)2/h14-17H,3-13H2,1-2H3

InChI Key

PUUCICBQTSLTHS-UHFFFAOYSA-N

Formula

C19H32O4

SMILES

CCCCOC(=O)C1CCCCC1C(=O)OC1CCCCC1C

Molecular Weight¹

324.45

• 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°	39.52	kJ/mol	Joback Calculated Property
logPoct/wat	4.258		Crippen Calculated Property
McVol	271.730	ml/mol	McGowan Calculated Property
Inp	[2226.00; 2226.00]
Inp	2226.00		NIST
Inp	2226.00		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	[369.51; 999.24]	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			-8.28970e+01
Coefficient B			1.89044e+00
Coefficient C			-8.71800e-04
Coefficient D			6.35000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	369.51	J/mol×K	273.00	Calculated Property
Cp,gas	479.60	J/mol×K	353.78	Calculated Property
Cp,gas	579.19	J/mol×K	434.56	Calculated Property
Cp,gas	668.48	J/mol×K	515.33	Calculated Property
Cp,gas	747.67	J/mol×K	596.11	Calculated Property
Cp,gas	816.97	J/mol×K	676.89	Calculated Property
Cp,gas	876.58	J/mol×K	757.67	Calculated Property
Cp,gas	926.69	J/mol×K	838.44	Calculated Property
Cp,gas	967.51	J/mol×K	919.22	Calculated Property
Cp,gas	999.24	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0022418; 0.0001265]	Pa×s	[394.83; 694.22]	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			-1.27668e+01
Coefficient B			2.63208e+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.			394.83
Temperature range, max.			694.22
η	0.0022418	Pa×s	394.83	Calculated Property
η	0.0013354	Pa×s	428.10	Calculated Property
η	0.0008572	Pa×s	461.36	Calculated Property
η	0.0005841	Pa×s	494.63	Calculated Property
η	0.0004177	Pa×s	527.89	Calculated Property
η	0.0003108	Pa×s	561.16	Calculated Property
η	0.0002390	Pa×s	594.43	Calculated Property
η	0.0001890	Pa×s	627.69	Calculated Property
η	0.0001531	Pa×s	660.96	Calculated Property
η	0.0001265	Pa×s	694.22	Calculated Property

Similar Compounds

Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, butyl 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

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