Chemical Properties of Acetamide, 2,2,2-trifluoro-N-(phenylmethyl)- (CAS 7387-69-1)

InChI

InChI=1S/C9H8F3NO/c10-9(11,12)8(14)13-6-7-4-2-1-3-5-7/h1-5H,6H2,(H,13,14)

InChI Key

DEXVYKWXVWAYGO-UHFFFAOYSA-N

Formula

C9H8F3NO

SMILES

O=C(NCc1ccccc1)C(F)(F)F

Molecular Weight¹

203.16

CAS

7387-69-1

Other Names

• Acetamide, N-benzyl-2,2,2-trifluoro-
• N-Benzyl-2,2,2-trifluoroacetamide
• N-Benzyltrifluoroacetamide

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• 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).
• 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

Cheméo can also estimate Critical Temperature, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor 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	[179.39; 413.71]	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			-3.92490e+01
Coefficient B			9.89300e-01
Coefficient C			-7.47900e-04
Coefficient D			2.11560e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	179.39	J/mol×K	273.00	Calculated Property
Cp,gas	226.50	J/mol×K	353.78	Calculated Property
Cp,gas	266.79	J/mol×K	434.56	Calculated Property
Cp,gas	300.90	J/mol×K	515.33	Calculated Property
Cp,gas	329.53	J/mol×K	596.11	Calculated Property
Cp,gas	353.34	J/mol×K	676.89	Calculated Property
Cp,gas	372.99	J/mol×K	757.67	Calculated Property
Cp,gas	389.16	J/mol×K	838.44	Calculated Property
Cp,gas	402.51	J/mol×K	919.22	Calculated Property
Cp,gas	413.71	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Acetamide, 2,2,2-trifluoro-N-(phenylmethyl)-.

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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