Chemical Properties of 3-Fluorobenzoic acid, 3,4-dichlorophenyl ester

InChI

InChI=1S/C13H7Cl2FO2/c14-11-5-4-10(7-12(11)15)18-13(17)8-2-1-3-9(16)6-8/h1-7H

InChI Key

GZSRWOJGJRZBJS-UHFFFAOYSA-N

Formula

C13H7Cl2FO2

SMILES

O=C(Oc1ccc(Cl)c(Cl)c1)c1cccc(F)c1

Molecular Weight¹

285.10

• 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°	-198.08	kJ/mol	Joback Calculated Property
ΔfH°gas	-345.39	kJ/mol	Joback Calculated Property
ΔfusH°	30.60	kJ/mol	Joback Calculated Property
ΔvapH°	68.18	kJ/mol	Joback Calculated Property
log10WS	-5.26		Crippen Calculated Property
logPoct/wat	4.352		Crippen Calculated Property
McVol	180.200	ml/mol	McGowan Calculated Property
Pc	2707.03	kPa	Joback Calculated Property
Inp	[1970.00; 1970.00]
Inp	1970.00		NIST
Inp	1970.00		NIST
Tboil	715.56	K	Joback Calculated Property
Tc	959.61	K	Joback Calculated Property
Tfus	459.26	K	Joback Calculated Property
Vc	0.688	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[416.98; 469.29]	J/mol×K	[715.56; 959.61]
Cp,gas	416.98	J/mol×K	715.56	Joback Calculated Property
Cp,gas	428.00	J/mol×K	756.24	Joback Calculated Property
Cp,gas	438.06	J/mol×K	796.91	Joback Calculated Property
Cp,gas	447.19	J/mol×K	837.59	Joback Calculated Property
Cp,gas	455.42	J/mol×K	878.26	Joback Calculated Property
Cp,gas	462.77	J/mol×K	918.94	Joback Calculated Property
Cp,gas	469.29	J/mol×K	959.61	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3-Fluorobenzoic acid, 3,4-dichlorophenyl ester.

Sources

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

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