Chemical Properties of 3,4,5-Trifluorobenzyl alcohol, 3-methylbutyl ether

3,4,5-Trifluorobenzyl alcohol, 3-methylbutyl ether

InChI
InChI=1S/C12H15F3O/c1-8(2)3-4-16-7-9-5-10(13)12(15)11(14)6-9/h5-6,8H,3-4,7H2,1-2H3
InChI Key
RGIJTLUUBUWYRG-UHFFFAOYSA-N
Formula
C12H15F3O
SMILES
CC(C)CCOCc1cc(F)c(F)c(F)c1
Molecular Weight1
232.24
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Physical Properties

Property Value Unit Source
ΔfusH° 26.61 kJ/mol Joback Calculated Property
ΔvapH° 59.70 kJ/mol Relay (1.0) Calculated Property
logPoct/wat 3.667 Crippen Calculated Property
McVol 167.360 ml/mol McGowan Calculated Property
Inp [1316.00; 1316.00]   Show Hide
Inp 1316.00 NIST
Inp 1316.00 NIST
Tboil 472.03 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, Ionization energy, Log10 of Water solubility in mol/l 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 [250.13; 551.02] 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 A4.30630e+01
Coefficient B8.64540e-01
Coefficient C-4.00480e-04
Coefficient D4.39000e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 250.13 J/mol×K 273.00 Calculated Property
Cp,gas 300.74 J/mol×K 353.78 Calculated Property
Cp,gas 346.73 J/mol×K 434.56 Calculated Property
Cp,gas 388.24 J/mol×K 515.33 Calculated Property
Cp,gas 425.41 J/mol×K 596.11 Calculated Property
Cp,gas 458.38 J/mol×K 676.89 Calculated Property
Cp,gas 487.29 J/mol×K 757.67 Calculated Property
Cp,gas 512.27 J/mol×K 838.44 Calculated Property
Cp,gas 533.47 J/mol×K 919.22 Calculated Property
Cp,gas 551.02 J/mol×K 1000.00 Calculated Property

Similar Compounds

3,4-Difluorobenzyl alcohol, 3-methylbutyl ether. 3,4,5-Trifluorobenzyl alcohol, n-butyl ether. 3,4,5-Trifluorobenzyl alcohol, 2-methylbutyl ether. 2,3,4,5-Tetrafluorobenzyl alcohol, 3-methylbutyl ether. (3-Fluorophenyl) methanol, 3-methylbutyl ether. 3,4,5-Trifluorobenzyl alcohol, n-pentyl ether. 2,4,5-Trifluorobenzyl alcohol, 3-methylbutyl ether. (4-Fluorophenyl) methanol, 3-methylbutyl ether. 3,4-Difluorobenzyl alcohol, 2-methylbutyl ether. 3,4-Difluorobenzyl alcohol, n-butyl ether. 2,5-Difluorobenzyl alcohol, 3-methylbutyl ester. 3,4,5-Trifluorobenzyl alcohol, 2-methylpropyl ether. 2,3,4,5-Tetrafluorobenzyl alcohol, n-butyl ether. 2,3,4,5-Tetrafluorobenzyl alcohol, 2-methylbutyl ether. (2-Fluorophenyl) methanol, 3-methylbutyl ether.

Find more compounds similar to 3,4,5-Trifluorobenzyl alcohol, 3-methylbutyl ether.

Sources

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