Chemical Properties of Benzamide, 2-fluoro-N-ethyl-N-hexyl-

InChI

InChI=1S/C15H22FNO/c1-3-5-6-9-12-17(4-2)15(18)13-10-7-8-11-14(13)16/h7-8,10-11H,3-6,9,12H2,1-2H3

InChI Key

RIVAFBKULSKXQV-UHFFFAOYSA-N

Formula

C15H22FNO

SMILES

CCCCCCN(CC)C(=O)c1ccccc1F

Molecular Weight¹

251.34

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• 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°	35.96	kJ/mol	Joback Calculated Property
ΔvapH°	78.19	kJ/mol	Relay (1.0) Calculated Property
log10WS	-4.42		Relay (1.0) Calculated Property
logPoct/wat	3.868		Crippen Calculated Property
McVol	211.770	ml/mol	McGowan Calculated Property
Pc	1848.33	kPa	Joback Calculated Property
Inp	[2027.00; 2027.00]
Inp	2027.00		NIST
Inp	2027.00		NIST
Tboil	583.26	K	Relay (1.0) Calculated Property
Tfus	267.27	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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	[293.61; 705.75]	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			-2.75940e+01
Coefficient B			1.39814e+00
Coefficient C			-8.66660e-04
Coefficient D			2.01860e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	293.61	J/mol×K	273.00	Calculated Property
Cp,gas	367.50	J/mol×K	353.78	Calculated Property
Cp,gas	432.88	J/mol×K	434.56	Calculated Property
Cp,gas	490.38	J/mol×K	515.33	Calculated Property
Cp,gas	540.65	J/mol×K	596.11	Calculated Property
Cp,gas	584.31	J/mol×K	676.89	Calculated Property
Cp,gas	622.01	J/mol×K	757.67	Calculated Property
Cp,gas	654.40	J/mol×K	838.44	Calculated Property
Cp,gas	682.09	J/mol×K	919.22	Calculated Property
Cp,gas	705.75	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Benzamide, 2-fluoro-N-ethyl-N-hexyl-.

Sources

• Cheméo Relay (1.0)
• 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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