Chemical Properties of Benzenemethanol, «alpha»-methyl-2-(trifluoromethyl)- (CAS 79756-81-3)

Benzenemethanol, «alpha»-methyl-2-(trifluoromethyl)-

InChI
InChI=1S/C9H9F3O/c1-6(13)7-4-2-3-5-8(7)9(10,11)12/h2-6,13H,1H3
InChI Key
VGHBIJJTMFYTPY-UHFFFAOYSA-N
Formula
C9H9F3O
SMILES
CC(O)c1ccccc1C(F)(F)F
Molecular Weight1
190.16
CAS
79756-81-3
Other Names
  • Benzyl alcohol, «alpha»-methyl-o-(trifluoromethyl)-
  • «alpha»-Methyl-2-(trifluoromethyl)benzyl alcohol
  • «alpha»-Methyl-o-trifluoromethylbenzyl alcohol
  • 1-[2-(Trifluoromethyl)phenyl]ethanol
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Physical Properties

Property Value Unit Source
ΔfusH° 15.11 kJ/mol Joback Calculated Property
ΔvapH° 69.11 kJ/mol Relay (1.0) Calculated Property
IE 9.53 eV Relay (1.0) Calculated Property
log10WS -1.18 Relay (1.0) Calculated Property
logPoct/wat 2.759 Crippen Calculated Property
McVol 125.090 ml/mol McGowan Calculated Property
Tboil 454.37 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, 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.

Pressure Dependent Properties

Property Value Unit Pressure (kPa) Source
Tboilr 387.50 ± 0.50 K 0.30 NIST

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [177.02; 403.97] 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-2.74900e+01
Coefficient B9.21520e-01
Coefficient C-6.84560e-04
Coefficient D1.94500e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 177.02 J/mol×K 273.00 Calculated Property
Cp,gas 221.46 J/mol×K 353.78 Calculated Property
Cp,gas 259.65 J/mol×K 434.56 Calculated Property
Cp,gas 292.22 J/mol×K 515.33 Calculated Property
Cp,gas 319.78 J/mol×K 596.11 Calculated Property
Cp,gas 342.95 J/mol×K 676.89 Calculated Property
Cp,gas 362.33 J/mol×K 757.67 Calculated Property
Cp,gas 378.56 J/mol×K 838.44 Calculated Property
Cp,gas 392.23 J/mol×K 919.22 Calculated Property
Cp,gas 403.97 J/mol×K 1000.00 Calculated Property

Similar Compounds

1-(2-Methylphenyl)ethanol. 1-(2,5-Dimethylphenyl)ethanol. 1-(2,4-dimethylphenyl)ethanol. C9H12O. Benzenemethanol, «alpha»-methyl-, (R)-. Benzenemethanol, «alpha»-methyl-, (S)-. Benzenemethanol, «alpha»-methyl-. «alpha»-Methyl-2-naphthalenemethanol. 1H-Inden-1-ol, 2,3-dihydro-. 1-[(3-Trifluoromethyl)phenyl]propanol-1. 1-Naphthalenol, 1,2,3,4-tetrahydro-. 1H-Inden-1-ol, 2,3-dihydro-3,3-dimethyl-. Phenylethanolamine. 1,4-Epoxynaphthalene, 1,4-dihydro-. 2-(Dimethylamino)-1-phenylethanol.

Find more compounds similar to Benzenemethanol, «alpha»-methyl-2-(trifluoromethyl)-.

Sources

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