Chemical Properties of Isopropyl N-(3-trifluoromethylphenyl)carbamate (CAS 370-56-9)

Isopropyl N-(3-trifluoromethylphenyl)carbamate

InChI
InChI=1S/C11H12F3NO2/c1-7(2)17-10(16)15-9-5-3-4-8(6-9)11(12,13)14/h3-7H,1-2H3,(H,15,16)
InChI Key
BXBUGIFDTNEDNS-UHFFFAOYSA-N
Formula
C11H12F3NO2
SMILES
CC(C)OC(=O)Nc1cccc(C(F)(F)F)c1
Molecular Weight1
247.21
CAS
370-56-9
Other Names
  • isopropyl m-trifluoromethylcarbanilate
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Physical Properties

Property Value Unit Source
ΔfusH° 25.67 kJ/mol Joback Calculated Property
ΔvapH° 74.79 kJ/mol Relay (1.0) Calculated Property
IE 8.80 eV Relay (1.0) Calculated Property
log10WS -3.71 Relay (1.0) Calculated Property
logPoct/wat 3.662 Crippen Calculated Property
McVol 164.820 ml/mol McGowan Calculated Property
Tboil 506.73 K Relay (1.0) Calculated Property
Tfus 349.05 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, 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 [239.47; 533.48] 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 A-1.04000e+01
Coefficient B1.09894e+00
Coefficient C-7.16960e-04
Coefficient D1.61900e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 239.47 J/mol×K 273.00 Calculated Property
Cp,gas 295.82 J/mol×K 353.78 Calculated Property
Cp,gas 345.05 J/mol×K 434.56 Calculated Property
Cp,gas 387.68 J/mol×K 515.33 Calculated Property
Cp,gas 424.21 J/mol×K 596.11 Calculated Property
Cp,gas 455.18 J/mol×K 676.89 Calculated Property
Cp,gas 481.07 J/mol×K 757.67 Calculated Property
Cp,gas 502.41 J/mol×K 838.44 Calculated Property
Cp,gas 519.71 J/mol×K 919.22 Calculated Property
Cp,gas 533.48 J/mol×K 1000.00 Calculated Property

Similar Compounds

Ethyl m-trifluoromethylcarbanilate. Methyl N-(3-trifluoromethylphenyl)carbamate. Ethyl 4-chloro-3-trifluoromethylcarbanilate. Carbamic acid, 3-methylphenyl-, isobutyl ester. Carbamic acid, 4-methylphenyl, 1-methylethyl ester. Carbamic acid, phenyl-, 1-methylethyl ester. Carbamic acid, (3-chlorophenyl)-, 1-methylethyl ester. 3'-Trifluoromethylformanilide. Isopropyl-o-chlorocarbanilate. 3'-Trifluoromethylpropionanilide. but-3-yn-2-yl N-(3-chlorophenyl)carbamate. Carbamic acid, (3-chlorophenyl)-, 1-methyl-2-propynyl ester. 3'-Trifluoromethylmethacrylanilide. Isobutylcarbamate, N-(2-methylphenyl). Propanamide, N-ethyl-2-[[(phenylamino)carbonyl]oxy]-, (R)-.

Find more compounds similar to Isopropyl N-(3-trifluoromethylphenyl)carbamate.

Sources

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