Chemical Properties of ALPHA,ALPHA-BIS(TRIFLUOROMETHYL)BENZYL ALCOHOL

ALPHA,ALPHA-BIS(TRIFLUOROMETHYL)BENZYL ALCOHOL

InChI
InChI=1S/C9H6F6O/c10-8(11,12)7(16,9(13,14)15)6-4-2-1-3-5-6/h1-5,16H
InChI Key
IZPIZCAYJQCTNG-UHFFFAOYSA-N
Formula
C9H6F6O
SMILES
OC(c1ccccc1)(C(F)(F)F)C(F)(F)F
Molecular Weight1
244.13
Other Names
  • Hexafluoro-2-phenyl isopropanol
  • Benzenemethanol, «alpha»,«alpha»-bis(trifluoromethyl)-
  • Hexafluoro-2-phenyl-2-propanol
  • «alpha»,«alpha»-bis(trifluoromethyl)benzyl alcohol
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry. Do not hesitate to contact us for your projects.

Physical Properties

Property Value Unit Source
ΔfH°gas -1315.03 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 13.43 kJ/mol Joback Calculated Property
ΔvapH° 70.36 kJ/mol Relay (1.0) Calculated Property
IE 9.81 eV Relay (1.0) Calculated Property
log10WS -2.70 Relay (1.0) Calculated Property
logPoct/wat 2.999 Crippen Calculated Property
McVol 130.400 ml/mol McGowan Calculated Property
Tboil 434.00 ± 1.00 K NIST
Tc 637.74 K Relay (1.0) Calculated Property
Tfus 244.21 K Relay (1.0) Calculated Property

Cheméo can also estimate 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 [196.46; 430.62] 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-7.07800e+01
Coefficient B1.26210e+00
Coefficient C-1.14120e-03
Coefficient D3.80500e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 196.46 J/mol×K 273.00 Calculated Property
Cp,gas 249.74 J/mol×K 353.78 Calculated Property
Cp,gas 293.39 J/mol×K 434.56 Calculated Property
Cp,gas 328.63 J/mol×K 515.33 Calculated Property
Cp,gas 356.65 J/mol×K 596.11 Calculated Property
Cp,gas 378.65 J/mol×K 676.89 Calculated Property
Cp,gas 395.85 J/mol×K 757.67 Calculated Property
Cp,gas 409.44 J/mol×K 838.44 Calculated Property
Cp,gas 420.63 J/mol×K 919.22 Calculated Property
Cp,gas 430.62 J/mol×K 1000.00 Calculated Property

Similar Compounds

4-Chloro-(2-hydroxyhexafluoroisopropyl)benzene. 2-(4-Fluorophenyl)-1,1,1,3,3,3-hexafluoro-2-propanol. Hexafluoro-2-(p-tolyl)-i-propanol. 4,4'-BIS[2-HYDROXYHEXAFLUOROISOPROPYL]DIPHENYL ETHER. 4,4'-Bis(2-hydroxyhexafluoroisopropyl)diphenyl. 1-Phenyl-2,2,2-trifluoroethanol. Benzenemethanol, «alpha»,«alpha»-dimethyl-. Benzeneethanol, 2,2,2-trifluoro-1-(3-chlorophenyl). 2-Phenyl-3-butyn-2-ol. «alpha»,«alpha»'-Dihydroxy-m-diisopropylbenzene. Benzeneethanol, 2,2,2-trifluoro-1-(4-chlorophenyl). 1,1-Ethanediol, 2,2,2-trifluoro-1-(4-methoxyphenyl)-. Benzeneethanol, 2,2,2-trifluoro-1-(4-fluorophenyl). Alpha,alpha,alpha',alpha'-tetramethyl-1,4-benzenedimethanol. Benzeneethanol, 2,2,2-trifluoro-1-(3-trifluoromethylphenyl).

Find more compounds similar to ALPHA,ALPHA-BIS(TRIFLUOROMETHYL)BENZYL ALCOHOL.

Sources

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.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
These property values are available through the Cheméo API. A free account gives you an access key.