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

InChI

InChI=1S/C18H22Cl2O4/c19-14-6-3-7-15(11-14)24-18(22)10-4-9-17(21)23-12-13-5-1-2-8-16(13)20/h3,6-7,11,13,16H,1-2,4-5,8-10,12H2

InChI Key

BVWQOSDUKPWUHM-UHFFFAOYSA-N

Formula

C18H22Cl2O4

SMILES

O=C(CCCC(=O)Oc1cccc(Cl)c1)OCC1CCCCC1Cl

Molecular Weight¹

373.28

• 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).
• IE : Ionization energy (eV).
• 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°	46.07	kJ/mol	Joback Calculated Property
IE	8.74	eV	Relay (1.0) Calculated Property
logPoct/wat	4.756		Crippen Calculated Property
McVol	269.220	ml/mol	McGowan Calculated Property
Inp	[2807.00; 2807.00]
Inp	2807.00		NIST
Inp	2807.00		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, 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	[356.25; 850.89]	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			-1.61460e+01
Coefficient B			1.57500e+00
Coefficient C			-7.96760e-04
Coefficient D			8.88000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	356.25	J/mol×K	273.00	Calculated Property
Cp,gas	445.26	J/mol×K	353.78	Calculated Property
Cp,gas	525.11	J/mol×K	434.56	Calculated Property
Cp,gas	596.06	J/mol×K	515.33	Calculated Property
Cp,gas	658.41	J/mol×K	596.11	Calculated Property
Cp,gas	712.44	J/mol×K	676.89	Calculated Property
Cp,gas	758.42	J/mol×K	757.67	Calculated Property
Cp,gas	796.63	J/mol×K	838.44	Calculated Property
Cp,gas	827.36	J/mol×K	919.22	Calculated Property
Cp,gas	850.89	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0008433; 0.0000877]	Pa×s	[479.20; 752.58]	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			-1.33097e+01
Coefficient B			2.98614e+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.			479.20
Temperature range, max.			752.58
η	0.0008433	Pa×s	479.20	Calculated Property
η	0.0005817	Pa×s	509.58	Calculated Property
η	0.0004183	Pa×s	539.95	Calculated Property
η	0.0003116	Pa×s	570.33	Calculated Property
η	0.0002391	Pa×s	600.70	Calculated Property
η	0.0001882	Pa×s	631.08	Calculated Property
η	0.0001515	Pa×s	661.45	Calculated Property
η	0.0001242	Pa×s	691.83	Calculated Property
η	0.0001036	Pa×s	722.21	Calculated Property
η	0.0000877	Pa×s	752.58	Calculated Property

Similar Compounds

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