Chemical Properties of 3-Chloro-2-fluorobenzoic acid, 2-biphenyl ester

InChI

InChI=1S/C19H12ClFO2/c20-16-11-6-10-15(18(16)21)19(22)23-17-12-5-4-9-14(17)13-7-2-1-3-8-13/h1-12H

InChI Key

SQBCNBGRVHHVRK-UHFFFAOYSA-N

Formula

C19H12ClFO2

SMILES

O=C(Oc1ccccc1-c1ccccc1)c1cccc(Cl)c1F

Molecular Weight¹

326.75

• 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	0.6789		Relay (... Calculated Property
ΔfG°	-23.22	kJ/mol	Joback Calculated Property
ΔfH°gas	-251.11	kJ/mol	Relay (... Calculated Property
ΔfusH°	35.99	kJ/mol	Joback Calculated Property
ΔvapH°	110.88	kJ/mol	Relay (... Calculated Property
IE	8.34	eV	Relay (... Calculated Property
log10WS	-6.53		Relay (... Calculated Property
logPoct/wat	5.365		Crippen Calculated Property
McVol	228.740	ml/mol	McGowan Calculated Property
Pc	2204.15	kPa	Joback Calculated Property
Inp	[2446.00; 2446.00]
Inp	2446.00		NIST
Inp	2446.00		NIST
Tboil	666.18	K	Relay (... Calculated Property
Tc	977.32	K	Relay (... Calculated Property
Tfus	345.45	K	Relay (... Calculated Property
Vc	0.823	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[617.09; 674.85]	J/mol×K	[842.09; 1097.09]
Cp,gas	617.09	J/mol×K	842.09	Joback Calculated Property
Cp,gas	629.76	J/mol×K	884.59	Joback Calculated Property
Cp,gas	641.10	J/mol×K	927.09	Joback Calculated Property
Cp,gas	651.21	J/mol×K	969.59	Joback Calculated Property
Cp,gas	660.15	J/mol×K	1012.09	Joback Calculated Property
Cp,gas	668.00	J/mol×K	1054.59	Joback Calculated Property
Cp,gas	674.85	J/mol×K	1097.09	Joback Calculated Property

Similar Compounds

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

Sources

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

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