Chemical Properties of 1,2-Cyclohexanedicarboxylic acid, (2-chlorocyclohexyl)methyl isohexyl ester

InChI

InChI=1S/C21H35ClO4/c1-15(2)8-7-13-25-20(23)17-10-4-5-11-18(17)21(24)26-14-16-9-3-6-12-19(16)22/h15-19H,3-14H2,1-2H3

InChI Key

BCRIHSBUEDJNGV-UHFFFAOYSA-N

Formula

C21H35ClO4

SMILES

CC(C)CCCOC(=O)C1CCCCC1C(=O)OCC1CCCCC1Cl

Molecular Weight¹

386.96

• 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°	45.37	kJ/mol	Joback Calculated Property
logPoct/wat	5.113		Crippen Calculated Property
McVol	312.150	ml/mol	McGowan Calculated Property
Inp	[2658.00; 2658.00]
Inp	2658.00		NIST
Inp	2658.00		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	[425.03; 1111.23]	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			-7.35060e+01
Coefficient B			2.09314e+00
Coefficient C			-1.00420e-03
Coefficient D			9.58000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	425.03	J/mol×K	273.00	Calculated Property
Cp,gas	545.56	J/mol×K	353.78	Calculated Property
Cp,gas	654.31	J/mol×K	434.56	Calculated Property
Cp,gas	751.59	J/mol×K	515.33	Calculated Property
Cp,gas	837.69	J/mol×K	596.11	Calculated Property
Cp,gas	912.93	J/mol×K	676.89	Calculated Property
Cp,gas	977.59	J/mol×K	757.67	Calculated Property
Cp,gas	1032.00	J/mol×K	838.44	Calculated Property
Cp,gas	1076.45	J/mol×K	919.22	Calculated Property
Cp,gas	1111.23	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0016474; 0.0000825]	Pa×s	[432.29; 754.67]	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			-1.34167e+01
Coefficient B			3.02954e+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.			432.29
Temperature range, max.			754.67
η	0.0016474	Pa×s	432.29	Calculated Property
η	0.0009636	Pa×s	468.11	Calculated Property
η	0.0006083	Pa×s	503.93	Calculated Property
η	0.0004082	Pa×s	539.75	Calculated Property
η	0.0002878	Pa×s	575.57	Calculated Property
η	0.0002114	Pa×s	611.39	Calculated Property
η	0.0001607	Pa×s	647.21	Calculated Property
η	0.0001257	Pa×s	683.03	Calculated Property
η	0.0001008	Pa×s	718.85	Calculated Property
η	0.0000825	Pa×s	754.67	Calculated Property

Similar Compounds

Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, (2-chlorocyclohexyl)methyl 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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