Chemical Properties of 2-(4,4,4-TRIFLUORO-1,3-DIOXOBUTYL)NAPHTHALENE

InChI

InChI=1S/C14H9F3O2/c15-14(16,17)13(19)8-12(18)11-6-5-9-3-1-2-4-10(9)7-11/h1-7H,8H2

InChI Key

WVVLURYIQCXPIV-UHFFFAOYSA-N

Formula

C14H9F3O2

SMILES

O=C(CC(=O)C(F)(F)F)c1ccc2ccccc2c1

Molecular Weight¹

266.22

Other Names

• 1,3-Butanedione, 4,4,4-trifluoro-1-(2-naphthalenyl)-
• 1,3-Butanedione, 4,4,4-trifluoro-1-(2-naphthyl)-
• 4,4,4-Trifluoro-1-(2-naphthyl)-butan-1,3-dione

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_subH° : Enthalpy of sublimation at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• 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

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, 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	[231.76; 529.97]	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			-5.23690e+01
Coefficient B			1.29690e+00
Coefficient C			-1.02228e-03
Coefficient D			3.07720e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	231.76	J/mol×K	273.00	Calculated Property
Cp,gas	292.12	J/mol×K	353.78	Calculated Property
Cp,gas	343.41	J/mol×K	434.56	Calculated Property
Cp,gas	386.59	J/mol×K	515.33	Calculated Property
Cp,gas	422.65	J/mol×K	596.11	Calculated Property
Cp,gas	452.54	J/mol×K	676.89	Calculated Property
Cp,gas	477.24	J/mol×K	757.67	Calculated Property
Cp,gas	497.73	J/mol×K	838.44	Calculated Property
Cp,gas	514.99	J/mol×K	919.22	Calculated Property
Cp,gas	529.97	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 2-(4,4,4-TRIFLUORO-1,3-DIOXOBUTYL)NAPHTHALENE.

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• 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

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Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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