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

373.27

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfG°	-271.50	kJ/mol	Joback Calculated Property
ΔfH°gas	-676.89	kJ/mol	Joback Calculated Property
ΔfusH°	42.90	kJ/mol	Joback Calculated Property
ΔvapH°	85.80	kJ/mol	Joback Calculated Property
log10WS	-5.44		Crippen Calculated Property
logPoct/wat	4.756		Crippen Calculated Property
McVol	269.220	ml/mol	McGowan Calculated Property
Pc	1679.66	kPa	Joback Calculated Property
Inp	[2807.00; 2807.00]
Inp	2807.00		NIST
Inp	2807.00		NIST
Tboil	885.22	K	Joback Calculated Property
Tc	1114.67	K	Joback Calculated Property
Tfus	538.86	K	Joback Calculated Property
Vc	1.014	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[811.44; 874.78]	J/mol×K	[885.22; 1114.67]
Cp,gas	811.44	J/mol×K	885.22	Joback Calculated Property
Cp,gas	825.70	J/mol×K	923.46	Joback Calculated Property
Cp,gas	838.44	J/mol×K	961.70	Joback Calculated Property
Cp,gas	849.70	J/mol×K	999.94	Joback Calculated Property
Cp,gas	859.49	J/mol×K	1038.19	Joback Calculated Property
Cp,gas	867.84	J/mol×K	1076.43	Joback Calculated Property
Cp,gas	874.78	J/mol×K	1114.67	Joback Calculated Property
η	[0.0000730; 0.0006188]	Pa×s	[538.86; 885.22]
η	0.0006188	Pa×s	538.86	Joback Calculated Property
η	0.0003648	Pa×s	596.59	Joback Calculated Property
η	0.0002361	Pa×s	654.31	Joback Calculated Property
η	0.0001639	Pa×s	712.04	Joback Calculated Property
η	0.0001202	Pa×s	769.77	Joback Calculated Property
η	0.0000921	Pa×s	827.49	Joback Calculated Property
η	0.0000730	Pa×s	885.22	Joback Calculated Property

Similar Compounds

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

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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