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

InChI

InChI=1S/C18H22ClFO4/c19-14-7-2-1-6-13(14)12-23-17(21)10-5-11-18(22)24-16-9-4-3-8-15(16)20/h3-4,8-9,13-14H,1-2,5-7,10-12H2

InChI Key

IVHMXXZBGHBESZ-UHFFFAOYSA-N

Formula

C18H22ClFO4

SMILES

O=C(CCCC(=O)Oc1ccccc1F)OCC1CCCCC1Cl

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	0.7882		Relay (1.0) Calculated Property
ΔfG°	-454.38	kJ/mol	Joback Calculated Property
ΔfH°gas	-956.25	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	41.78	kJ/mol	Joback Calculated Property
ΔvapH°	104.07	kJ/mol	Relay (1.0) Calculated Property
IE	8.76	eV	Relay (1.0) Calculated Property
log10WS	-4.70		Relay (1.0) Calculated Property
logPoct/wat	4.242		Crippen Calculated Property
McVol	258.750	ml/mol	McGowan Calculated Property
Pc	1668.70	kPa	Joback Calculated Property
Inp	[2599.00; 2599.00]
Inp	2599.00		NIST
Inp	2599.00		NIST
Tboil	660.84	K	Relay (1.0) Calculated Property
Tc	888.09	K	Relay (1.0) Calculated Property
Tfus	332.81	K	Relay (1.0) Calculated Property
Vc	0.925	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[793.91; 864.74]	J/mol×K	[847.06; 1066.37]
Cp,gas	793.91	J/mol×K	847.06	Joback Calculated Property
Cp,gas	809.20	J/mol×K	883.61	Joback Calculated Property
Cp,gas	823.07	J/mol×K	920.16	Joback Calculated Property
Cp,gas	835.53	J/mol×K	956.72	Joback Calculated Property
Cp,gas	846.62	J/mol×K	993.27	Joback Calculated Property
Cp,gas	856.35	J/mol×K	1029.82	Joback Calculated Property
Cp,gas	864.74	J/mol×K	1066.37	Joback Calculated Property

Similar Compounds

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

Sources

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

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