Chemical Properties of Trifluoroacetamide, N-[1-(2-methoxyphenyl)ethyl]

Trifluoroacetamide, N-[1-(2-methoxyphenyl)ethyl]

InChI
InChI=1S/C9H8F3NO2/c1-15-7-5-3-2-4-6(7)13-8(14)9(10,11)12/h2-5H,1H3,(H,13,14)
InChI Key
MYPKUDNIQPOXHU-UHFFFAOYSA-N
Formula
C9H8F3NO2
SMILES
COc1ccccc1NC(=O)C(F)(F)F
Molecular Weight1
219.16
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Physical Properties

Property Value Unit Source
ΔfH°gas -863.88 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 22.43 kJ/mol Joback Calculated Property
ΔvapH° 66.67 kJ/mol Relay (1.0) Calculated Property
IE 8.56 eV Relay (1.0) Calculated Property
log10WS -1.48 Relay (1.0) Calculated Property
logPoct/wat 2.196 Crippen Calculated Property
McVol 136.640 ml/mol McGowan Calculated Property
Inp [1386.00; 1386.00]   Show Hide
Inp 1386.00 NIST
Inp 1386.00 NIST
Tboil 506.31 K Relay (1.0) Calculated Property
Tfus 354.36 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, 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 [197.35; 429.17] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A5.50000e-01
Coefficient B8.66620e-01
Coefficient C-5.69860e-04
Coefficient D1.31860e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 197.35 J/mol×K 273.00 Calculated Property
Cp,gas 241.66 J/mol×K 353.78 Calculated Property
Cp,gas 280.35 J/mol×K 434.56 Calculated Property
Cp,gas 313.86 J/mol×K 515.33 Calculated Property
Cp,gas 342.58 J/mol×K 596.11 Calculated Property
Cp,gas 366.95 J/mol×K 676.89 Calculated Property
Cp,gas 387.38 J/mol×K 757.67 Calculated Property
Cp,gas 404.28 J/mol×K 838.44 Calculated Property
Cp,gas 418.07 J/mol×K 919.22 Calculated Property
Cp,gas 429.17 J/mol×K 1000.00 Calculated Property

Similar Compounds

N-(2-Ethoxyphenyl)-2,2,2-trifluoroacetamide. Acetamide, N-(2-methoxyphenyl)-. 4-Methoxybenzene-1,3-diamine, N1,N3-bis(trifluorocetyl)-. Acetamide, N-(2,5-dimethoxyphenyl)-2,2,2-trifluoro-. 2-Methoxyisonitrosoacetanilide. [2-[(2,2,2-Trifluoroacetyl)amino]phenyl] 2,2,2-trifluoroacetate. Acetamide, N-(2-ethoxyphenyl)-. Propanamide, N-(2,5-dimethoxyphenyl)-2,2,3,3,3-pentafluoro-. Trifluoroacetamide, N-[1-(3-methoxyphenyl)ethyl]. 2-Ethoxyisonitrosoacetanilide. Butanamide, N-(2-methoxyphenyl)-3-oxo-. Acetamide, N-(2,5-dimethoxyphenyl)-2,2,2-trichloro-. 2,4-Diaminophenol, N,N',O-tris-(rifluoroacetyl)-. Propanamide, N-(2,5-dimethoxyphenyl)-2,2-dimethyl-. Acetamide, N-(2,5-dimethoxyphenyl)-2,2-dichloro-.

Find more compounds similar to Trifluoroacetamide, N-[1-(2-methoxyphenyl)ethyl].

Sources

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