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

InChI

InChI=1S/C17H22ClFO4/c1-3-12(4-2)11-22-15(20)9-6-10-16(21)23-17-13(18)7-5-8-14(17)19/h5,7-8,12H,3-4,6,9-11H2,1-2H3

InChI Key

GINALBOPVWZBIT-UHFFFAOYSA-N

Formula

C17H22ClFO4

SMILES

CCC(CC)COC(=O)CCCC(=O)Oc1c(F)cccc1Cl

Molecular Weight¹

344.81

• 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	0.8444		Relay (1.0) Calculated Property
ΔfG°	-491.61	kJ/mol	Joback Calculated Property
ΔfH°gas	-977.41	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	42.38	kJ/mol	Joback Calculated Property
ΔvapH°	94.56	kJ/mol	Relay (1.0) Calculated Property
IE	8.80	eV	Relay (1.0) Calculated Property
log10WS	-4.99		Relay (1.0) Calculated Property
logPoct/wat	4.534		Crippen Calculated Property
McVol	255.520	ml/mol	McGowan Calculated Property
Pc	1561.05	kPa	Joback Calculated Property
Inp	[2242.00; 2242.00]
Inp	2242.00		NIST
Inp	2242.00		NIST
Tboil	604.63	K	Relay (1.0) Calculated Property
Tc	821.67	K	Relay (1.0) Calculated Property
Tfus	276.58	K	Relay (1.0) Calculated Property
Vc	0.921	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[738.44; 806.84]	J/mol×K	[813.84; 1016.05]
Cp,gas	738.44	J/mol×K	813.84	Joback Calculated Property
Cp,gas	752.32	J/mol×K	847.54	Joback Calculated Property
Cp,gas	765.19	J/mol×K	881.24	Joback Calculated Property
Cp,gas	777.06	J/mol×K	914.95	Joback Calculated Property
Cp,gas	787.95	J/mol×K	948.65	Joback Calculated Property
Cp,gas	797.87	J/mol×K	982.35	Joback Calculated Property
Cp,gas	806.84	J/mol×K	1016.05	Joback Calculated Property

Similar Compounds

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

Sources

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

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