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

InChI

InChI=1S/C22H34Cl2O4/c23-19-11-5-1-7-15(19)13-27-21(25)17-9-3-4-10-18(17)22(26)28-14-16-8-2-6-12-20(16)24/h15-20H,1-14H2

InChI Key

BRNANSGAGKELCH-UHFFFAOYSA-N

Formula

C22H34Cl2O4

SMILES

O=C(OCC1CCCCC1Cl)C1CCCCC1C(=O)OCC1CCCCC1Cl

Molecular Weight¹

433.41

• 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°	48.59	kJ/mol	Joback Calculated Property
logPoct/wat	5.474		Crippen Calculated Property
McVol	327.620	ml/mol	McGowan Calculated Property
Inp	[3183.00; 3183.00]
Inp	3183.00		NIST
Inp	3183.00		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	[424.11; 1162.29]	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			-1.19508e+02
Coefficient B			2.28460e+00
Coefficient C			-1.10140e-03
Coefficient D			9.86000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	424.11	J/mol×K	273.00	Calculated Property
Cp,gas	555.25	J/mol×K	353.78	Calculated Property
Cp,gas	673.38	J/mol×K	434.56	Calculated Property
Cp,gas	778.82	J/mol×K	515.33	Calculated Property
Cp,gas	871.87	J/mol×K	596.11	Calculated Property
Cp,gas	952.85	J/mol×K	676.89	Calculated Property
Cp,gas	1022.07	J/mol×K	757.67	Calculated Property
Cp,gas	1079.85	J/mol×K	838.44	Calculated Property
Cp,gas	1126.48	J/mol×K	919.22	Calculated Property
Cp,gas	1162.29	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0011318; 0.0000870]	Pa×s	[491.62; 822.80]	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			-1.31583e+01
Coefficient B			3.13378e+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.			491.62
Temperature range, max.			822.80
η	0.0011318	Pa×s	491.62	Calculated Property
η	0.0007261	Pa×s	528.42	Calculated Property
η	0.0004935	Pa×s	565.22	Calculated Property
η	0.0003517	Pa×s	602.01	Calculated Property
η	0.0002606	Pa×s	638.81	Calculated Property
η	0.0001995	Pa×s	675.61	Calculated Property
η	0.0001570	Pa×s	712.41	Calculated Property
η	0.0001265	Pa×s	749.21	Calculated Property
η	0.0001040	Pa×s	786.00	Calculated Property
η	0.0000870	Pa×s	822.80	Calculated Property

Similar Compounds

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