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

InChI

InChI=1S/C15H12ClFO2/c1-2-10-5-3-6-11(9-10)19-15(18)12-7-4-8-13(16)14(12)17/h3-9H,2H2,1H3

InChI Key

QVKNACNKMFVVOS-UHFFFAOYSA-N

Formula

C15H12ClFO2

SMILES

CCc1cccc(OC(=O)c2cccc(Cl)c2F)c1

Molecular Weight¹

278.71

• 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°	-169.31	kJ/mol	Joback Calculated Property
ΔfH°gas	-370.93	kJ/mol	Joback Calculated Property
ΔfusH°	31.59	kJ/mol	Joback Calculated Property
ΔvapH°	68.25	kJ/mol	Joback Calculated Property
log10WS	-5.38		Crippen Calculated Property
logPoct/wat	4.261		Crippen Calculated Property
McVol	196.140	ml/mol	McGowan Calculated Property
Pc	2318.07	kPa	Joback Calculated Property
Inp	[2105.00; 2105.00]
Inp	2105.00		NIST
Inp	2105.00		NIST
Tboil	723.89	K	Joback Calculated Property
Tc	956.04	K	Joback Calculated Property
Tfus	451.88	K	Joback Calculated Property
Vc	0.750	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[496.53; 561.34]	J/mol×K	[723.89; 956.04]
Cp,gas	496.53	J/mol×K	723.89	Joback Calculated Property
Cp,gas	509.80	J/mol×K	762.58	Joback Calculated Property
Cp,gas	522.05	J/mol×K	801.27	Joback Calculated Property
Cp,gas	533.29	J/mol×K	839.97	Joback Calculated Property
Cp,gas	543.56	J/mol×K	878.66	Joback Calculated Property
Cp,gas	552.90	J/mol×K	917.35	Joback Calculated Property
Cp,gas	561.34	J/mol×K	956.04	Joback Calculated Property

Similar Compounds

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

Sources

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

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