Chemical Properties of 3,4-Difluorobenzoic acid, 4-chlorophenyl ester

InChI

InChI=1S/C13H7ClF2O2/c14-9-2-4-10(5-3-9)18-13(17)8-1-6-11(15)12(16)7-8/h1-7H

InChI Key

URZRXXYRJUIMNR-UHFFFAOYSA-N

Formula

C13H7ClF2O2

SMILES

O=C(Oc1ccc(Cl)cc1)c1ccc(F)c(F)c1

Molecular Weight¹

268.64

• 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	0.6326		Relay (1.0) Calculated Property
ΔfG°	-380.96	kJ/mol	Joback Calculated Property
ΔfH°gas	-524.36	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	29.49	kJ/mol	Joback Calculated Property
ΔvapH°	82.32	kJ/mol	Relay (1.0) Calculated Property
IE	8.80	eV	Relay (1.0) Calculated Property
log10WS	-5.15		Relay (1.0) Calculated Property
logPoct/wat	3.837		Crippen Calculated Property
McVol	169.730	ml/mol	McGowan Calculated Property
Pc	2684.64	kPa	Joback Calculated Property
Inp	[1833.00; 1833.00]
Inp	1833.00		NIST
Inp	1833.00		NIST
Tboil	583.17	K	Relay (1.0) Calculated Property
Tc	830.81	K	Relay (1.0) Calculated Property
Tfus	331.96	K	Relay (1.0) Calculated Property
Vc	0.620	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[403.10; 459.38]	J/mol×K	[677.40; 908.05]
Cp,gas	403.10	J/mol×K	677.40	Joback Calculated Property
Cp,gas	414.64	J/mol×K	715.84	Joback Calculated Property
Cp,gas	425.29	J/mol×K	754.28	Joback Calculated Property
Cp,gas	435.06	J/mol×K	792.72	Joback Calculated Property
Cp,gas	443.98	J/mol×K	831.16	Joback Calculated Property
Cp,gas	452.08	J/mol×K	869.61	Joback Calculated Property
Cp,gas	459.38	J/mol×K	908.05	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3,4-Difluorobenzoic acid, 4-chlorophenyl ester.

Sources

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

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