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

InChI

InChI=1S/C17H30O4/c1-12(2)8-7-11-20-16(18)14-9-5-6-10-15(14)17(19)21-13(3)4/h12-15H,5-11H2,1-4H3

InChI Key

ONUIWTQGPQZMLW-UHFFFAOYSA-N

Formula

C17H30O4

SMILES

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

Molecular Weight¹

298.42

• 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°	34.38	kJ/mol	Joback Calculated Property
logPoct/wat	3.724		Crippen Calculated Property
McVol	254.410	ml/mol	McGowan Calculated Property
Inp	[2102.00; 2102.00]
Inp	2102.00		NIST
Inp	2102.00		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	[362.31; 905.40]	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			-2.47770e+01
Coefficient B			1.61668e+00
Coefficient C			-7.43800e-04
Coefficient D			5.73000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	362.31	J/mol×K	273.00	Calculated Property
Cp,gas	456.61	J/mol×K	353.78	Calculated Property
Cp,gas	542.00	J/mol×K	434.56	Calculated Property
Cp,gas	618.66	J/mol×K	515.33	Calculated Property
Cp,gas	686.77	J/mol×K	596.11	Calculated Property
Cp,gas	746.51	J/mol×K	676.89	Calculated Property
Cp,gas	798.06	J/mol×K	757.67	Calculated Property
Cp,gas	841.61	J/mol×K	838.44	Calculated Property
Cp,gas	877.33	J/mol×K	919.22	Calculated Property
Cp,gas	905.40	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0043743; 0.0001119]	Pa×s	[339.15; 640.47]	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			-1.32245e+01
Coefficient B			2.64282e+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.			339.15
Temperature range, max.			640.47
η	0.0043743	Pa×s	339.15	Calculated Property
η	0.0021719	Pa×s	372.63	Calculated Property
η	0.0012104	Pa×s	406.11	Calculated Property
η	0.0007373	Pa×s	439.59	Calculated Property
η	0.0004818	Pa×s	473.07	Calculated Property
η	0.0003331	Pa×s	506.55	Calculated Property
η	0.0002410	Pa×s	540.03	Calculated Property
η	0.0001811	Pa×s	573.51	Calculated Property
η	0.0001405	Pa×s	606.99	Calculated Property
η	0.0001119	Pa×s	640.47	Calculated Property

Similar Compounds

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