Chemical Properties of Heptafluorobutanamide, N-ethyl-N-(3-methylphenyl)-

InChI

InChI=1S/C13H12F7NO/c1-3-21(9-6-4-5-8(2)7-9)10(22)11(14,15)12(16,17)13(18,19)20/h4-7H,3H2,1-2H3

InChI Key

BURAUADCMPNCGS-UHFFFAOYSA-N

Formula

C13H12F7NO

SMILES

CCN(C(=O)C(F)(F)C(F)(F)C(F)(F)F)c1cccc(C)c1

Molecular Weight¹

331.23

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, 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, 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	[296.00; 649.39]	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			-6.26490e+01
Coefficient B			1.65634e+00
Coefficient C			-1.37166e-03
Coefficient D			4.27360e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	296.00	J/mol×K	273.00	Calculated Property
Cp,gas	370.57	J/mol×K	353.78	Calculated Property
Cp,gas	433.17	J/mol×K	434.56	Calculated Property
Cp,gas	485.14	J/mol×K	515.33	Calculated Property
Cp,gas	527.82	J/mol×K	596.11	Calculated Property
Cp,gas	562.58	J/mol×K	676.89	Calculated Property
Cp,gas	590.77	J/mol×K	757.67	Calculated Property
Cp,gas	613.73	J/mol×K	838.44	Calculated Property
Cp,gas	632.82	J/mol×K	919.22	Calculated Property
Cp,gas	649.39	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Heptafluorobutanamide, N-ethyl-N-(3-methylphenyl)-.

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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