Chemical Properties of 2,6-Difluoro-3-methylbenzoic acid, isopropyl ester

InChI

InChI=1S/C11H12F2O2/c1-6(2)15-11(14)9-8(12)5-4-7(3)10(9)13/h4-6H,1-3H3

InChI Key

ZJWYLCZNZWGVEW-UHFFFAOYSA-N

Formula

C11H12F2O2

SMILES

Cc1ccc(F)c(C(=O)OC(C)C)c1F

Molecular Weight¹

214.21

• 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°	-500.72	kJ/mol	Joback Calculated Property
ΔfH°gas	-710.55	kJ/mol	Joback Calculated Property
ΔfusH°	22.54	kJ/mol	Joback Calculated Property
ΔvapH°	51.48	kJ/mol	Joback Calculated Property
log10WS	-3.80		Crippen Calculated Property
logPoct/wat	2.838		Crippen Calculated Property
McVol	153.070	ml/mol	McGowan Calculated Property
Pc	2441.06	kPa	Joback Calculated Property
Inp	[1292.00; 1292.00]
Inp	1292.00		NIST
Inp	1292.00		NIST
Tboil	567.09	K	Joback Calculated Property
Tc	764.10	K	Joback Calculated Property
Tfus	336.05	K	Joback Calculated Property
Vc	0.598	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[362.24; 429.03]	J/mol×K	[567.09; 764.10]
Cp,gas	362.24	J/mol×K	567.09	Joback Calculated Property
Cp,gas	374.86	J/mol×K	599.92	Joback Calculated Property
Cp,gas	386.89	J/mol×K	632.76	Joback Calculated Property
Cp,gas	398.31	J/mol×K	665.59	Joback Calculated Property
Cp,gas	409.14	J/mol×K	698.43	Joback Calculated Property
Cp,gas	419.38	J/mol×K	731.26	Joback Calculated Property
Cp,gas	429.03	J/mol×K	764.10	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2,6-Difluoro-3-methylbenzoic acid, isopropyl ester.

Sources

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

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