Chemical Properties of Benzamide, 4-fluoro-N-(1-naphtyl)- (CAS 442-72-8)

InChI

InChI=1S/C17H12FNO/c18-14-10-8-13(9-11-14)17(20)19-16-7-3-5-12-4-1-2-6-15(12)16/h1-11H,(H,19,20)

InChI Key

CUTVBLHYWGEURT-UHFFFAOYSA-N

Formula

C17H12FNO

SMILES

O=C(Nc1cccc2ccccc12)c1ccc(F)cc1

Molecular Weight¹

265.28

CAS

442-72-8

Other Names

• Benzamide, N-(1-naphthyl)-4-fluoro-

• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-120.70	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	33.89	kJ/mol	Joback Calculated Property
logPoct/wat	4.231		Crippen Calculated Property
McVol	196.730	ml/mol	McGowan Calculated Property
Inp	[2440.00; 2440.00]
Inp	2440.00		NIST
Inp	2440.00		NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, 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	[241.01; 595.44]	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			-7.09800e+01
Coefficient B			1.39830e+00
Coefficient C			-1.01234e-03
Coefficient D			2.80460e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	241.01	J/mol×K	273.00	Calculated Property
Cp,gas	309.42	J/mol×K	353.78	Calculated Property
Cp,gas	368.51	J/mol×K	434.56	Calculated Property
Cp,gas	419.15	J/mol×K	515.33	Calculated Property
Cp,gas	462.24	J/mol×K	596.11	Calculated Property
Cp,gas	498.66	J/mol×K	676.89	Calculated Property
Cp,gas	529.31	J/mol×K	757.67	Calculated Property
Cp,gas	555.06	J/mol×K	838.44	Calculated Property
Cp,gas	576.81	J/mol×K	919.22	Calculated Property
Cp,gas	595.44	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Benzamide, 4-fluoro-N-(1-naphtyl)-.

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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