Chemical Properties of Glutaric acid, (2-chlorocyclohexyl)methyl 2-methylpent-3-yl ester

InChI

InChI=1S/C18H31ClO4/c1-4-16(13(2)3)23-18(21)11-7-10-17(20)22-12-14-8-5-6-9-15(14)19/h13-16H,4-12H2,1-3H3

InChI Key

KXYWEZNXLPHRPT-UHFFFAOYSA-N

Formula

C18H31ClO4

SMILES

CCC(OC(=O)CCCC(=O)OCC1CCCCC1Cl)C(C)C

Molecular Weight¹

346.89

• 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°	41.17	kJ/mol	Joback Calculated Property
logPoct/wat	4.475		Crippen Calculated Property
McVol	280.740	ml/mol	McGowan Calculated Property
Inp	[2342.00; 2342.00]
Inp	2342.00		NIST
Inp	2342.00		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	[396.93; 965.27]	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			-1.27950e+01
Coefficient B			1.71846e+00
Coefficient C			-8.18600e-04
Coefficient D			7.82000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	396.93	J/mol×K	273.00	Calculated Property
Cp,gas	496.17	J/mol×K	353.78	Calculated Property
Cp,gas	585.81	J/mol×K	434.56	Calculated Property
Cp,gas	666.09	J/mol×K	515.33	Calculated Property
Cp,gas	737.27	J/mol×K	596.11	Calculated Property
Cp,gas	799.60	J/mol×K	676.89	Calculated Property
Cp,gas	853.31	J/mol×K	757.67	Calculated Property
Cp,gas	898.66	J/mol×K	838.44	Calculated Property
Cp,gas	935.90	J/mol×K	919.22	Calculated Property
Cp,gas	965.27	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0026841; 0.0000897]	Pa×s	[380.34; 684.72]	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			-1.35670e+01
Coefficient B			2.90830e+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.			380.34
Temperature range, max.			684.72
η	0.0026841	Pa×s	380.34	Calculated Property
η	0.0014375	Pa×s	414.16	Calculated Property
η	0.0008460	Pa×s	447.98	Calculated Property
η	0.0005364	Pa×s	481.80	Calculated Property
η	0.0003610	Pa×s	515.62	Calculated Property
η	0.0002551	Pa×s	549.44	Calculated Property
η	0.0001877	Pa×s	583.26	Calculated Property
η	0.0001428	Pa×s	617.08	Calculated Property
η	0.0001118	Pa×s	650.90	Calculated Property
η	0.0000897	Pa×s	684.72	Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, (2-chlorocyclohexyl)methyl 2-methylpent-3-yl 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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