Chemical Properties of 1,2-Cyclohexanedicarboxylic acid, di(2-methylpent-3-yl) ester

InChI

InChI=1S/C20H36O4/c1-7-17(13(3)4)23-19(21)15-11-9-10-12-16(15)20(22)24-18(8-2)14(5)6/h13-18H,7-12H2,1-6H3

InChI Key

RGQKNUDLRLDOKP-UHFFFAOYSA-N

Formula

C20H36O4

SMILES

CCC(OC(=O)C1CCCCC1C(=O)OC(CC)C(C)C)C(C)C

Molecular Weight¹

340.50

• 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°	35.11	kJ/mol	Joback Calculated Property
logPoct/wat	4.748		Crippen Calculated Property
McVol	296.680	ml/mol	McGowan Calculated Property
Inp	[2229.00; 2229.00]
Inp	2229.00		NIST
Inp	2229.00		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	[425.32; 1061.25]	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			-3.08680e+01
Coefficient B			1.91352e+00
Coefficient C			-9.13400e-04
Coefficient D			9.20000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	425.32	J/mol×K	273.00	Calculated Property
Cp,gas	535.85	J/mol×K	353.78	Calculated Property
Cp,gas	635.73	J/mol×K	434.56	Calculated Property
Cp,gas	725.25	J/mol×K	515.33	Calculated Property
Cp,gas	804.72	J/mol×K	596.11	Calculated Property
Cp,gas	874.40	J/mol×K	676.89	Calculated Property
Cp,gas	934.61	J/mol×K	757.67	Calculated Property
Cp,gas	985.63	J/mol×K	838.44	Calculated Property
Cp,gas	1027.74	J/mol×K	919.22	Calculated Property
Cp,gas	1061.25	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0054756; 0.0000674]	Pa×s	[342.96; 689.38]	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			-1.39576e+01
Coefficient B			3.00094e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			342.96
Temperature range, max.			689.38
η	0.0054756	Pa×s	342.96	Calculated Property
η	0.0022645	Pa×s	381.45	Calculated Property
η	0.0011010	Pa×s	419.94	Calculated Property
η	0.0006043	Pa×s	458.43	Calculated Property
η	0.0003639	Pa×s	496.93	Calculated Property
η	0.0002358	Pa×s	535.42	Calculated Property
η	0.0001619	Pa×s	573.91	Calculated Property
η	0.0001165	Pa×s	612.40	Calculated Property
η	0.0000872	Pa×s	650.89	Calculated Property
η	0.0000674	Pa×s	689.38	Calculated Property

Similar Compounds

Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, di(2-methylpent-3-yl) 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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