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

InChI

InChI=1S/C9H8ClFO2/c1-2-13-9(12)6-4-3-5-7(10)8(6)11/h3-5H,2H2,1H3

InChI Key

MCNAALBXEILIIB-UHFFFAOYSA-N

Formula

C9H8ClFO2

SMILES

CCOC(=O)c1cccc(Cl)c1F

Molecular Weight¹

202.61

• 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°	-322.61	kJ/mol	Joback Calculated Property
ΔfH°gas	-472.15	kJ/mol	Joback Calculated Property
ΔfusH°	22.39	kJ/mol	Joback Calculated Property
ΔvapH°	51.95	kJ/mol	Joback Calculated Property
log10WS	-3.15		Crippen Calculated Property
logPoct/wat	2.656		Crippen Calculated Property
McVol	135.360	ml/mol	McGowan Calculated Property
Pc	3028.94	kPa	Joback Calculated Property
Inp	[1363.00; 1363.00]
Inp	1363.00		NIST
Inp	1363.00		NIST
Tboil	554.95	K	Joback Calculated Property
Tc	767.13	K	Joback Calculated Property
Tfus	345.32	K	Joback Calculated Property
Vc	0.522	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[288.39; 343.75]	J/mol×K	[554.95; 767.13]
Cp,gas	288.39	J/mol×K	554.95	Joback Calculated Property
Cp,gas	299.04	J/mol×K	590.31	Joback Calculated Property
Cp,gas	309.11	J/mol×K	625.68	Joback Calculated Property
Cp,gas	318.61	J/mol×K	661.04	Joback Calculated Property
Cp,gas	327.55	J/mol×K	696.40	Joback Calculated Property
Cp,gas	335.92	J/mol×K	731.76	Joback Calculated Property
Cp,gas	343.75	J/mol×K	767.13	Joback Calculated Property

Similar Compounds

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

Sources

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

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