Chemical Properties of 2,6-Difluorobenzoic acid, 2-naphthyl ester

InChI

InChI=1S/C17H10F2O2/c18-14-6-3-7-15(19)16(14)17(20)21-13-9-8-11-4-1-2-5-12(11)10-13/h1-10H

InChI Key

PMPDADBYVZJXAX-UHFFFAOYSA-N

Formula

C17H10F2O2

SMILES

O=C(Oc1ccc2ccccc2c1)c1c(F)cccc1F

Molecular Weight¹

284.26

• 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°	-228.70	kJ/mol	Joback Calculated Property
ΔfH°gas	-401.51	kJ/mol	Joback Calculated Property
ΔfusH°	32.67	kJ/mol	Joback Calculated Property
ΔvapH°	69.14	kJ/mol	Joback Calculated Property
log10WS	-6.03		Crippen Calculated Property
logPoct/wat	4.337		Crippen Calculated Property
McVol	194.390	ml/mol	McGowan Calculated Property
Pc	2421.88	kPa	Joback Calculated Property
Inp	[2174.00; 2174.00]
Inp	2174.00		NIST
Inp	2174.00		NIST
Tboil	750.47	K	Joback Calculated Property
Tc	987.06	K	Joback Calculated Property
Tfus	477.79	K	Joback Calculated Property
Vc	0.753	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[516.13; 578.53]	J/mol×K	[750.47; 987.06]
Cp,gas	516.13	J/mol×K	750.47	Joback Calculated Property
Cp,gas	528.91	J/mol×K	789.90	Joback Calculated Property
Cp,gas	540.65	J/mol×K	829.33	Joback Calculated Property
Cp,gas	551.41	J/mol×K	868.77	Joback Calculated Property
Cp,gas	561.26	J/mol×K	908.20	Joback Calculated Property
Cp,gas	570.27	J/mol×K	947.63	Joback Calculated Property
Cp,gas	578.53	J/mol×K	987.06	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2,6-Difluorobenzoic acid, 2-naphthyl ester.

Sources

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

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