Chemical Properties of 2-(4-Fluorophenyl)-1,1,1,3,3,3-hexafluoro-2-propanol (CAS 2402-74-6)

2-(4-Fluorophenyl)-1,1,1,3,3,3-hexafluoro-2-propanol

InChI
InChI=1S/C9H5F7O/c10-6-3-1-5(2-4-6)7(17,8(11,12)13)9(14,15)16/h1-4,17H
InChI Key
VFFCPASLKRVTCD-UHFFFAOYSA-N
Formula
C9H5F7O
SMILES
OC(c1ccc(F)cc1)(C(F)(F)F)C(F)(F)F
Molecular Weight1
262.12
CAS
2402-74-6
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Physical Properties

Property Value Unit Source
ω 0.5431 Relay (1.0) Calculated Property
ΔfG° -1364.29 kJ/mol Joback Calculated Property
ΔfH°gas -1506.43 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 16.12 kJ/mol Joback Calculated Property
ΔvapH° 72.73 kJ/mol Relay (1.0) Calculated Property
IE 9.70 eV Relay (1.0) Calculated Property
log10WS -3.20 Relay (1.0) Calculated Property
logPoct/wat 3.138 Crippen Calculated Property
McVol 132.170 ml/mol McGowan Calculated Property
Pc 2679.08 kPa Joback Calculated Property
Tboil 432.14 K Relay (1.0) Calculated Property
Tc 636.95 K Relay (1.0) Calculated Property
Tfus 264.75 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [207.21; 434.65] 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-5.03900e+01
Coefficient B1.21440e+00
Coefficient C-1.09056e-03
Coefficient D3.61200e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 207.21 J/mol×K 273.00 Calculated Property
Cp,gas 258.74 J/mol×K 353.78 Calculated Property
Cp,gas 301.03 J/mol×K 434.56 Calculated Property
Cp,gas 335.24 J/mol×K 515.33 Calculated Property
Cp,gas 362.51 J/mol×K 596.11 Calculated Property
Cp,gas 383.97 J/mol×K 676.89 Calculated Property
Cp,gas 400.78 J/mol×K 757.67 Calculated Property
Cp,gas 414.06 J/mol×K 838.44 Calculated Property
Cp,gas 424.97 J/mol×K 919.22 Calculated Property
Cp,gas 434.65 J/mol×K 1000.00 Calculated Property

Similar Compounds

ALPHA,ALPHA-BIS(TRIFLUOROMETHYL)BENZYL ALCOHOL. 4-Chloro-(2-hydroxyhexafluoroisopropyl)benzene. Hexafluoro-2-(p-tolyl)-i-propanol. 4,4'-BIS[2-HYDROXYHEXAFLUOROISOPROPYL]DIPHENYL ETHER. 4,4'-Bis(2-hydroxyhexafluoroisopropyl)diphenyl. Benzeneethanol, 2,2,2-trifluoro-1-(4-fluorophenyl). 1-Phenyl-2,2,2-trifluoroethanol. 4-Fluorophenylmethylcarbinol. Benzeneethanol, 2,2,2-trifluoro-1-(3-chlorophenyl). BENZENEACETIC ACID, 4-FLUORO-.ALPHA.-HYDROXY-. Benzyl alcohol, p-fluoro-alpha-(trichloromethyl)-. Benzeneethanol, 2,2,2-trifluoro-1-(4-chlorophenyl). 1,1-Ethanediol, 2,2,2-trifluoro-1-(4-methoxyphenyl)-. 2-Phenyl-3-butyn-2-ol. Benzenemethanol, «alpha»,«alpha»-dimethyl-.

Find more compounds similar to 2-(4-Fluorophenyl)-1,1,1,3,3,3-hexafluoro-2-propanol.

Sources

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