Chemical Properties of 3-Chloro-2-fluorobenzoic acid, 3,4-dichlorophenyl ester

InChI

InChI=1S/C13H6Cl3FO2/c14-9-5-4-7(6-11(9)16)19-13(18)8-2-1-3-10(15)12(8)17/h1-6H

InChI Key

UQUHAAHZWIDVOX-UHFFFAOYSA-N

Formula

C13H6Cl3FO2

SMILES

O=C(Oc1ccc(Cl)c(Cl)c1)c1cccc(Cl)c1F

Molecular Weight¹

319.54

• 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°	-219.64	kJ/mol	Joback Calculated Property
ΔfH°gas	-372.60	kJ/mol	Joback Calculated Property
ΔfusH°	34.41	kJ/mol	Joback Calculated Property
ΔvapH°	73.23	kJ/mol	Joback Calculated Property
log10WS	-5.95		Crippen Calculated Property
logPoct/wat	5.005		Crippen Calculated Property
McVol	192.440	ml/mol	McGowan Calculated Property
Pc	2566.29	kPa	Joback Calculated Property
Inp	[2292.00; 2292.00]
Inp	2292.00		NIST
Inp	2292.00		NIST
Tboil	757.97	K	Joback Calculated Property
Tc	1004.92	K	Joback Calculated Property
Tfus	501.70	K	Joback Calculated Property
Vc	0.737	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[435.57; 480.80]	J/mol×K	[757.97; 1004.92]
Cp,gas	435.57	J/mol×K	757.97	Joback Calculated Property
Cp,gas	445.33	J/mol×K	799.13	Joback Calculated Property
Cp,gas	454.17	J/mol×K	840.29	Joback Calculated Property
Cp,gas	462.11	J/mol×K	881.45	Joback Calculated Property
Cp,gas	469.18	J/mol×K	922.61	Joback Calculated Property
Cp,gas	475.40	J/mol×K	963.76	Joback Calculated Property
Cp,gas	480.80	J/mol×K	1004.92	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3-Chloro-2-fluorobenzoic acid, 3,4-dichlorophenyl ester.

Sources

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

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