Chemical Properties of Heptafluorobutyric acid, 2-naphthyl ester

InChI

InChI=1S/C14H7F7O2/c15-12(16,13(17,18)14(19,20)21)11(22)23-10-6-5-8-3-1-2-4-9(8)7-10/h1-7H

InChI Key

FGDZFPRIFAOLGT-UHFFFAOYSA-N

Formula

C14H7F7O2

SMILES

O=C(Oc1ccc2ccccc2c1)C(F)(F)C(F)(F)C(F)(F)F

Molecular Weight¹

340.19

Other Names

• 2-Naphthol, heptafluorobutanoate

• 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°	26.37	kJ/mol	Joback Calculated Property
IE	8.51	eV	Relay (1.0) Calculated Property
logPoct/wat	4.578		Crippen Calculated Property
McVol	184.730	ml/mol	McGowan Calculated Property
Inp	[1404.00; 1414.00]
Inp	1404.00		NIST
Inp	1414.00		NIST
Tboil	550.12	K	Relay (1.0) Calculated Property
Tfus	308.52	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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[496.80; 555.97]	J/mol×K	[613.98; 806.84]
Cp,gas	496.80	J/mol×K	613.98	Joback Calculated Property
Cp,gas	509.12	J/mol×K	646.12	Joback Calculated Property
Cp,gas	520.34	J/mol×K	678.27	Joback Calculated Property
Cp,gas	530.54	J/mol×K	710.41	Joback Calculated Property
Cp,gas	539.83	J/mol×K	742.55	Joback Calculated Property
Cp,gas	548.27	J/mol×K	774.70	Joback Calculated Property
Cp,gas	555.97	J/mol×K	806.84	Joback Calculated Property

Similar Compounds

Find more compounds similar to Heptafluorobutyric 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.
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