Chemical Properties of Glutaric acid, cyclohexylmethyl 2-chloro-6-fluorophenyl ester

InChI

InChI=1S/C18H22ClFO4/c19-14-8-4-9-15(20)18(14)24-17(22)11-5-10-16(21)23-12-13-6-2-1-3-7-13/h4,8-9,13H,1-3,5-7,10-12H2

InChI Key

VNKINHSWHPUMBS-UHFFFAOYSA-N

Formula

C18H22ClFO4

SMILES

O=C(CCCC(=O)Oc1c(F)cccc1Cl)OCC1CCCCC1

Molecular Weight¹

356.82

• 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	0.8163		Relay (1.0) Calculated Property
ΔfG°	-456.30	kJ/mol	Joback Calculated Property
ΔfH°gas	-938.85	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	40.32	kJ/mol	Joback Calculated Property
ΔvapH°	99.70	kJ/mol	Relay (1.0) Calculated Property
IE	8.69	eV	Relay (1.0) Calculated Property
log10WS	-5.18		Relay (1.0) Calculated Property
logPoct/wat	4.678		Crippen Calculated Property
McVol	258.750	ml/mol	McGowan Calculated Property
Pc	1693.51	kPa	Joback Calculated Property
Inp	[2504.00; 2504.00]
Inp	2504.00		NIST
Inp	2504.00		NIST
Tboil	644.99	K	Relay (1.0) Calculated Property
Tc	880.16	K	Relay (1.0) Calculated Property
Tfus	319.98	K	Relay (1.0) Calculated Property
Vc	0.937	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[788.79; 857.37]	J/mol×K	[856.71; 1076.96]
Cp,gas	788.79	J/mol×K	856.71	Joback Calculated Property
Cp,gas	803.58	J/mol×K	893.42	Joback Calculated Property
Cp,gas	816.99	J/mol×K	930.13	Joback Calculated Property
Cp,gas	829.06	J/mol×K	966.83	Joback Calculated Property
Cp,gas	839.79	J/mol×K	1003.54	Joback Calculated Property
Cp,gas	849.22	J/mol×K	1040.25	Joback Calculated Property
Cp,gas	857.37	J/mol×K	1076.96	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, cyclohexylmethyl 2-chloro-6-fluorophenyl ester.

Sources

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

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