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_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	34.25	kJ/mol	Joback Calculated Property
IE	8.10	eV	Relay (1.0) Calculated Property
logPoct/wat	4.337		Crippen Calculated Property
McVol	194.390	ml/mol	McGowan Calculated Property
Inp	[2174.00; 2174.00]
Inp	2174.00		NIST
Inp	2174.00		NIST
Tboil	647.35	K	Relay (1.0) Calculated Property
Tfus	370.88	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[250.99; 581.67]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-3.13300e+01
Coefficient B			1.24760e+00
Coefficient C			-8.37200e-04
Coefficient D			2.02600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	250.99	J/mol×K	273.00	Calculated Property
Cp,gas	314.23	J/mol×K	353.78	Calculated Property
Cp,gas	369.35	J/mol×K	434.56	Calculated Property
Cp,gas	416.99	J/mol×K	515.33	Calculated Property
Cp,gas	457.80	J/mol×K	596.11	Calculated Property
Cp,gas	492.40	J/mol×K	676.89	Calculated Property
Cp,gas	521.45	J/mol×K	757.67	Calculated Property
Cp,gas	545.59	J/mol×K	838.44	Calculated Property
Cp,gas	565.45	J/mol×K	919.22	Calculated Property
Cp,gas	581.67	J/mol×K	1000.00	Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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