Chemical Properties of Glutaric acid, (2-chlorocyclohexyl)methyl 2-chloro-6-fluorophenyl ester

InChI

InChI=1S/C18H21Cl2FO4/c19-13-6-2-1-5-12(13)11-24-16(22)9-4-10-17(23)25-18-14(20)7-3-8-15(18)21/h3,7-8,12-13H,1-2,4-6,9-11H2

InChI Key

XZWZUNDAQLFIQZ-UHFFFAOYSA-N

Formula

C18H21Cl2FO4

SMILES

O=C(CCCC(=O)Oc1c(F)cccc1Cl)OCC1CCCCC1Cl

Molecular Weight¹

391.26

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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).
• IE : Ionization energy (eV).
• 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
ω	0.8160		Relay (1.0) Calculated Property
ΔfG°	-475.94	kJ/mol	Joback Calculated Property
ΔfH°gas	-956.22	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	45.59	kJ/mol	Joback Calculated Property
ΔvapH°	108.00	kJ/mol	Relay (1.0) Calculated Property
IE	8.83	eV	Relay (1.0) Calculated Property
log10WS	-5.37		Relay (1.0) Calculated Property
logPoct/wat	4.896		Crippen Calculated Property
McVol	270.990	ml/mol	McGowan Calculated Property
Pc	1600.00	kPa	Joback Calculated Property
Inp	[2753.00; 2753.00]
Inp	2753.00		NIST
Inp	2753.00		NIST
Tboil	660.17	K	Relay (1.0) Calculated Property
Tc	910.59	K	Relay (1.0) Calculated Property
Tfus	341.08	K	Relay (1.0) Calculated Property
Vc	0.965	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[817.54; 877.96]	J/mol×K	[889.47; 1113.18]
Cp,gas	817.54	J/mol×K	889.47	Joback Calculated Property
Cp,gas	831.17	J/mol×K	926.75	Joback Calculated Property
Cp,gas	843.35	J/mol×K	964.04	Joback Calculated Property
Cp,gas	854.10	J/mol×K	1001.32	Joback Calculated Property
Cp,gas	863.44	J/mol×K	1038.61	Joback Calculated Property
Cp,gas	871.39	J/mol×K	1075.89	Joback Calculated Property
Cp,gas	877.96	J/mol×K	1113.18	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, (2-chlorocyclohexyl)methyl 2-chloro-6-fluorophenyl ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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