Chemical Properties of Benzamide, 3-chloro-2-fluoro-N-(2-ethylhexyl)-

InChI

InChI=1S/C15H21ClFNO/c1-3-5-7-11(4-2)10-18-15(19)12-8-6-9-13(16)14(12)17/h6,8-9,11H,3-5,7,10H2,1-2H3,(H,18,19)

InChI Key

YIFIBILUMYFSNR-UHFFFAOYSA-N

Formula

C15H21ClFNO

SMILES

CCCCC(CC)CNC(=O)c1cccc(Cl)c1F

Molecular Weight¹

285.79

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion 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°	38.32	kJ/mol	Joback Calculated Property
log10WS	-5.43		Relay (1.0) Calculated Property
logPoct/wat	4.425		Crippen Calculated Property
McVol	224.010	ml/mol	McGowan Calculated Property
Pc	1803.09	kPa	Joback Calculated Property
Inp	[2081.00; 2081.00]
Inp	2081.00		NIST
Inp	2081.00		NIST
Tboil	598.16	K	Relay (1.0) Calculated Property
Tfus	299.06	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization 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	[309.93; 710.37]	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			7.39500e+00
Coefficient B			1.30364e+00
Coefficient C			-7.59220e-04
Coefficient D			1.58560e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	309.93	J/mol×K	273.00	Calculated Property
Cp,gas	380.59	J/mol×K	353.78	Calculated Property
Cp,gas	443.54	J/mol×K	434.56	Calculated Property
Cp,gas	499.28	J/mol×K	515.33	Calculated Property
Cp,gas	548.31	J/mol×K	596.11	Calculated Property
Cp,gas	591.13	J/mol×K	676.89	Calculated Property
Cp,gas	628.25	J/mol×K	757.67	Calculated Property
Cp,gas	660.16	J/mol×K	838.44	Calculated Property
Cp,gas	687.37	J/mol×K	919.22	Calculated Property
Cp,gas	710.37	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Benzamide, 3-chloro-2-fluoro-N-(2-ethylhexyl)-.

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