Chemical Properties of Glutaric acid, (2-chlorocyclohexyl)methyl 2,2-dichloroethyl ester

InChI

InChI=1S/C14H21Cl3O4/c15-11-5-2-1-4-10(11)8-20-13(18)6-3-7-14(19)21-9-12(16)17/h10-12H,1-9H2

InChI Key

NHIGIWVVKZYBCS-UHFFFAOYSA-N

Formula

C14H21Cl3O4

SMILES

O=C(CCCC(=O)OCC1CCCCC1Cl)OCC(Cl)Cl

Molecular Weight¹

359.67

• 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°	42.73	kJ/mol	Joback Calculated Property
logPoct/wat	3.844		Crippen Calculated Property
McVol	248.860	ml/mol	McGowan Calculated Property
Inp	[2431.00; 2431.00]
Inp	2431.00		NIST
Inp	2431.00		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	[339.20; 774.91]	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			1.83050e+01
Coefficient B			1.34610e+00
Coefficient C			-6.38600e-04
Coefficient D			4.91000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	339.20	J/mol×K	273.00	Calculated Property
Cp,gas	416.77	J/mol×K	353.78	Calculated Property
Cp,gas	486.70	J/mol×K	434.56	Calculated Property
Cp,gas	549.12	J/mol×K	515.33	Calculated Property
Cp,gas	604.21	J/mol×K	596.11	Calculated Property
Cp,gas	652.10	J/mol×K	676.89	Calculated Property
Cp,gas	692.96	J/mol×K	757.67	Calculated Property
Cp,gas	726.95	J/mol×K	838.44	Calculated Property
Cp,gas	754.21	J/mol×K	919.22	Calculated Property
Cp,gas	774.91	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0018880; 0.0001207]	Pa×s	[410.10; 680.82]	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			-1.31888e+01
Coefficient B			2.83648e+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.			410.10
Temperature range, max.			680.82
η	0.0018880	Pa×s	410.10	Calculated Property
η	0.0011769	Pa×s	440.18	Calculated Property
η	0.0007793	Pa×s	470.26	Calculated Property
η	0.0005423	Pa×s	500.34	Calculated Property
η	0.0003932	Pa×s	530.42	Calculated Property
η	0.0002951	Pa×s	560.50	Calculated Property
η	0.0002281	Pa×s	590.58	Calculated Property
η	0.0001807	Pa×s	620.66	Calculated Property
η	0.0001463	Pa×s	650.74	Calculated Property
η	0.0001207	Pa×s	680.82	Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, (2-chlorocyclohexyl)methyl 2,2-dichloroethyl 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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