Chemical Properties of 3-Chloro-2-fluorobenzamide, N-(2-octyl)-

InChI

InChI=1S/C15H21ClFNO/c1-3-4-5-6-8-11(2)18-15(19)12-9-7-10-13(16)14(12)17/h7,9-11H,3-6,8H2,1-2H3,(H,18,19)

InChI Key

BBPNKNMZAYDYKS-UHFFFAOYSA-N

Formula

C15H21ClFNO

SMILES

CCCCCCC(C)NC(=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).
• 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

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, 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	[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 3-Chloro-2-fluorobenzamide, N-(2-octyl)-.

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

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