Chemical Properties of Benzamide, 2,6-difluoro-3-methyl-N-isobutyl-

InChI

InChI=1S/C12H15F2NO/c1-7(2)6-15-12(16)10-9(13)5-4-8(3)11(10)14/h4-5,7H,6H2,1-3H3,(H,15,16)

InChI Key

JSSZGAHSICHRNG-UHFFFAOYSA-N

Formula

C12H15F2NO

SMILES

Cc1ccc(F)c(C(=O)NCC(C)C)c1F

Molecular Weight¹

227.25

• 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

Property	Value	Unit	Source
ΔfusH°	29.04	kJ/mol	Joback Calculated Property
logPoct/wat	2.659		Crippen Calculated Property
McVol	171.270	ml/mol	McGowan Calculated Property
Inp	[1693.00; 1693.00]
Inp	1693.00		NIST
Inp	1693.00		NIST

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	[243.63; 551.36]	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			1.76210e+01
Coefficient B			9.64160e-01
Coefficient C			-5.24980e-04
Coefficient D			9.45600e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	243.63	J/mol×K	273.00	Calculated Property
Cp,gas	297.20	J/mol×K	353.78	Calculated Property
Cp,gas	345.23	J/mol×K	434.56	Calculated Property
Cp,gas	388.01	J/mol×K	515.33	Calculated Property
Cp,gas	425.85	J/mol×K	596.11	Calculated Property
Cp,gas	459.04	J/mol×K	676.89	Calculated Property
Cp,gas	487.89	J/mol×K	757.67	Calculated Property
Cp,gas	512.70	J/mol×K	838.44	Calculated Property
Cp,gas	533.75	J/mol×K	919.22	Calculated Property
Cp,gas	551.36	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Benzamide, 2,6-difluoro-3-methyl-N-isobutyl-.

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.
These property values are available through the Cheméo API. A free account gives you an access key.