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

InChI

InChI=1S/C16H27ClO4/c1-12(2)6-5-10-20-15(18)13-7-3-4-8-14(13)16(19)21-11-9-17/h12-14H,3-11H2,1-2H3

InChI Key

CUNQUAKHJJETDW-UHFFFAOYSA-N

Formula

C16H27ClO4

SMILES

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

Molecular Weight¹

318.84

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization 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
ΔfH°gas	-977.70	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	39.51	kJ/mol	Joback Calculated Property
ΔvapH°	88.33	kJ/mol	Relay (1.0) Calculated Property
logPoct/wat	3.554		Crippen Calculated Property
McVol	252.560	ml/mol	McGowan Calculated Property
Inp	[2110.00; 2110.00]
Inp	2110.00		NIST
Inp	2110.00		NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, 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	[354.81; 861.54]	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			-9.29500e+00
Coefficient B			1.52254e+00
Coefficient C			-7.06600e-04
Coefficient D			5.49000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	354.81	J/mol×K	273.00	Calculated Property
Cp,gas	443.34	J/mol×K	353.78	Calculated Property
Cp,gas	523.41	J/mol×K	434.56	Calculated Property
Cp,gas	595.18	J/mol×K	515.33	Calculated Property
Cp,gas	658.85	J/mol×K	596.11	Calculated Property
Cp,gas	714.57	J/mol×K	676.89	Calculated Property
Cp,gas	762.53	J/mol×K	757.67	Calculated Property
Cp,gas	802.90	J/mol×K	838.44	Calculated Property
Cp,gas	835.84	J/mol×K	919.22	Calculated Property
Cp,gas	861.54	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0026727; 0.0001221]	Pa×s	[372.80; 652.75]	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			-1.31193e+01
Coefficient B			2.68216e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			372.80
Temperature range, max.			652.75
η	0.0026727	Pa×s	372.80	Calculated Property
η	0.0015357	Pa×s	403.91	Calculated Property
η	0.0009552	Pa×s	435.01	Calculated Property
η	0.0006330	Pa×s	466.12	Calculated Property
η	0.0004416	Pa×s	497.22	Calculated Property
η	0.0003215	Pa×s	528.33	Calculated Property
η	0.0002424	Pa×s	559.43	Calculated Property
η	0.0001883	Pa×s	590.54	Calculated Property
η	0.0001500	Pa×s	621.65	Calculated Property
η	0.0001221	Pa×s	652.75	Calculated Property

Similar Compounds

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