Chemical Properties of Glutaric acid, 2-chloro-6-fluorophenyl 4-chlorobenzyl ester

InChI

InChI=1S/C18H15Cl2FO4/c19-13-9-7-12(8-10-13)11-24-16(22)5-2-6-17(23)25-18-14(20)3-1-4-15(18)21/h1,3-4,7-10H,2,5-6,11H2

InChI Key

VSZIRJITQKFPCR-UHFFFAOYSA-N

Formula

C18H15Cl2FO4

SMILES

O=C(CCCC(=O)Oc1c(F)cccc1Cl)OCc1ccc(Cl)cc1

Molecular Weight¹

385.21

• 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).
• 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
ΔfG°	-389.90	kJ/mol	Joback Calculated Property
ΔfH°gas	-693.39	kJ/mol	Joback Calculated Property
ΔfusH°	46.34	kJ/mol	Joback Calculated Property
ΔvapH°	88.46	kJ/mol	Joback Calculated Property
log10WS	-6.13		Crippen Calculated Property
logPoct/wat	4.952		Crippen Calculated Property
McVol	258.090	ml/mol	McGowan Calculated Property
Pc	1801.56	kPa	Joback Calculated Property
Inp	[2765.00; 2765.00]
Inp	2765.00		NIST
Inp	2765.00		NIST
Tboil	906.25	K	Joback Calculated Property
Tc	1135.33	K	Joback Calculated Property
Tfus	587.77	K	Joback Calculated Property
Vc	0.992	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[716.60; 762.90]	J/mol×K	[906.25; 1135.33]
Cp,gas	716.60	J/mol×K	906.25	Joback Calculated Property
Cp,gas	727.16	J/mol×K	944.43	Joback Calculated Property
Cp,gas	736.55	J/mol×K	982.61	Joback Calculated Property
Cp,gas	744.79	J/mol×K	1020.79	Joback Calculated Property
Cp,gas	751.92	J/mol×K	1058.97	Joback Calculated Property
Cp,gas	757.94	J/mol×K	1097.15	Joback Calculated Property
Cp,gas	762.90	J/mol×K	1135.33	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 2-chloro-6-fluorophenyl 4-chlorobenzyl ester.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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