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

InChI

InChI=1S/C15H7F7O2/c1-5-2-3-7(16)8(9(5)17)15(23)24-4-6-10(18)12(20)14(22)13(21)11(6)19/h2-3H,4H2,1H3

InChI Key

OAEQDGGSEUOFOB-UHFFFAOYSA-N

Formula

C15H7F7O2

SMILES

Cc1ccc(F)c(C(=O)OCc2c(F)c(F)c(F)c(F)c2F)c1F

Molecular Weight¹

352.20

• 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°	-1374.39	kJ/mol	Joback Calculated Property
ΔfH°gas	-1589.20	kJ/mol	Joback Calculated Property
ΔfusH°	43.92	kJ/mol	Joback Calculated Property
ΔvapH°	62.27	kJ/mol	Joback Calculated Property
log10WS	-6.62		Crippen Calculated Property
logPoct/wat	4.326		Crippen Calculated Property
McVol	194.520	ml/mol	McGowan Calculated Property
Pc	1758.02	kPa	Joback Calculated Property
Inp	[1773.00; 1773.00]
Inp	1773.00		NIST
Inp	1773.00		NIST
Tboil	706.98	K	Joback Calculated Property
Tc	892.69	K	Joback Calculated Property
Tfus	488.10	K	Joback Calculated Property
Vc	0.809	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[513.72; 567.66]	J/mol×K	[706.98; 892.69]
Cp,gas	513.72	J/mol×K	706.98	Joback Calculated Property
Cp,gas	524.23	J/mol×K	737.93	Joback Calculated Property
Cp,gas	534.13	J/mol×K	768.88	Joback Calculated Property
Cp,gas	543.42	J/mol×K	799.83	Joback Calculated Property
Cp,gas	552.11	J/mol×K	830.78	Joback Calculated Property
Cp,gas	560.19	J/mol×K	861.74	Joback Calculated Property
Cp,gas	567.66	J/mol×K	892.69	Joback Calculated Property

Similar Compounds

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

Sources

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

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