Chemical Properties of 2,6-Difluoro-3-methylbenzoic acid, 3,5-difluophenyl ester

InChI

InChI=1S/C14H8F4O2/c1-7-2-3-11(17)12(13(7)18)14(19)20-10-5-8(15)4-9(16)6-10/h2-6H,1H3

InChI Key

ZWBARDCJLIMXKP-UHFFFAOYSA-N

Formula

C14H8F4O2

SMILES

Cc1ccc(F)c(C(=O)Oc2cc(F)cc(F)c2)c1F

Molecular Weight¹

284.21

• 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°	-769.49	kJ/mol	Joback Calculated Property
ΔfH°gas	-945.82	kJ/mol	Joback Calculated Property
ΔfusH°	33.26	kJ/mol	Joback Calculated Property
ΔvapH°	60.51	kJ/mol	Joback Calculated Property
log10WS	-5.36		Crippen Calculated Property
logPoct/wat	3.771		Crippen Calculated Property
McVol	175.120	ml/mol	McGowan Calculated Property
Pc	2248.26	kPa	Joback Calculated Property
Inp	[1670.00; 1670.00]
Inp	1670.00		NIST
Inp	1670.00		NIST
Tboil	671.35	K	Joback Calculated Property
Tc	877.84	K	Joback Calculated Property
Tfus	437.50	K	Joback Calculated Property
Vc	0.700	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[442.88; 502.08]	J/mol×K	[671.35; 877.84]
Cp,gas	442.88	J/mol×K	671.35	Joback Calculated Property
Cp,gas	454.58	J/mol×K	705.76	Joback Calculated Property
Cp,gas	465.53	J/mol×K	740.18	Joback Calculated Property
Cp,gas	475.75	J/mol×K	774.59	Joback Calculated Property
Cp,gas	485.24	J/mol×K	809.01	Joback Calculated Property
Cp,gas	494.01	J/mol×K	843.42	Joback Calculated Property
Cp,gas	502.08	J/mol×K	877.84	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2,6-Difluoro-3-methylbenzoic acid, 3,5-difluophenyl ester.

Sources

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

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