Chemical Properties of Benzamide, N-(2-fluorophenyl)-4-ethyl-

InChI

InChI=1S/C15H14FNO/c1-2-11-7-9-12(10-8-11)15(18)17-14-6-4-3-5-13(14)16/h3-10H,2H2,1H3,(H,17,18)

InChI Key

DWXWTDWAJVHBQZ-UHFFFAOYSA-N

Formula

C15H14FNO

SMILES

CCc1ccc(C(=O)Nc2ccccc2F)cc1

Molecular Weight¹

243.28

• 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).
• 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
ΔfH°gas	-244.23	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	31.69	kJ/mol	Joback Calculated Property
IE	8.30	eV	Relay (1.0) Calculated Property
logPoct/wat	3.640		Crippen Calculated Property
McVol	188.010	ml/mol	McGowan Calculated Property
Inp	[2067.00; 2067.00]
Inp	2067.00		NIST
Inp	2067.00		NIST
Tboil	609.38	K	Relay (1.0) Calculated Property
Tfus	367.07	K	Relay (1.0) Calculated Property

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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[498.87; 569.68]	J/mol×K	[709.43; 939.33]
Cp,gas	498.87	J/mol×K	709.43	Joback Calculated Property
Cp,gas	513.22	J/mol×K	747.75	Joback Calculated Property
Cp,gas	526.46	J/mol×K	786.06	Joback Calculated Property
Cp,gas	538.67	J/mol×K	824.38	Joback Calculated Property
Cp,gas	549.90	J/mol×K	862.70	Joback Calculated Property
Cp,gas	560.22	J/mol×K	901.01	Joback Calculated Property
Cp,gas	569.68	J/mol×K	939.33	Joback Calculated Property

Similar Compounds

Find more compounds similar to Benzamide, N-(2-fluorophenyl)-4-ethyl-.

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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