Chemical Properties of Glutaric acid, 1-cyclopentylethyl 2-chloro-6-fluorophenyl ester

InChI

InChI=1S/C18H22ClFO4/c1-12(13-6-2-3-7-13)23-16(21)10-5-11-17(22)24-18-14(19)8-4-9-15(18)20/h4,8-9,12-13H,2-3,5-7,10-11H2,1H3

InChI Key

JKQYUFSIGJLUES-UHFFFAOYSA-N

Formula

C18H22ClFO4

SMILES

CC(OC(=O)CCCC(=O)Oc1c(F)cccc1Cl)C1CCCC1

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	0.8019		Relay (1.0) Calculated Property
ΔfG°	-446.64	kJ/mol	Joback Calculated Property
ΔfH°gas	-949.48	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	38.90	kJ/mol	Joback Calculated Property
ΔvapH°	99.01	kJ/mol	Relay (1.0) Calculated Property
IE	8.66	eV	Relay (1.0) Calculated Property
log10WS	-4.86		Relay (1.0) Calculated Property
logPoct/wat	4.677		Crippen Calculated Property
McVol	258.750	ml/mol	McGowan Calculated Property
Pc	1670.06	kPa	Joback Calculated Property
Inp	[2381.00; 2381.00]
Inp	2381.00		NIST
Inp	2381.00		NIST
Tboil	624.43	K	Relay (1.0) Calculated Property
Tc	867.70	K	Relay (1.0) Calculated Property
Tfus	319.63	K	Relay (1.0) Calculated Property
Vc	0.935	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[785.63; 855.29]	J/mol×K	[852.00; 1070.41]
Cp,gas	785.63	J/mol×K	852.00	Joback Calculated Property
Cp,gas	800.33	J/mol×K	888.40	Joback Calculated Property
Cp,gas	813.76	J/mol×K	924.80	Joback Calculated Property
Cp,gas	825.93	J/mol×K	961.21	Joback Calculated Property
Cp,gas	836.89	J/mol×K	997.61	Joback Calculated Property
Cp,gas	846.67	J/mol×K	1034.01	Joback Calculated Property
Cp,gas	855.29	J/mol×K	1070.41	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 1-cyclopentylethyl 2-chloro-6-fluorophenyl ester.

Sources

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

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