Chemical Properties of 4-(Trifluoromethyl)phenyl methanol, 3-methylbutyl ether

4-(Trifluoromethyl)phenyl methanol, 3-methylbutyl ether

InChI
InChI=1S/C13H17F3O/c1-10(2)7-8-17-9-11-3-5-12(6-4-11)13(14,15)16/h3-6,10H,7-9H2,1-2H3
InChI Key
ARECSLYCXPRNAF-UHFFFAOYSA-N
Formula
C13H17F3O
SMILES
CC(C)CCOCc1ccc(C(F)(F)F)cc1
Molecular Weight1
246.27
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Physical Properties

Property Value Unit Source
ΔfusH° 22.57 kJ/mol Joback Calculated Property
ΔvapH° 61.79 kJ/mol Relay (1.0) Calculated Property
logPoct/wat 4.268 Crippen Calculated Property
McVol 181.450 ml/mol McGowan Calculated Property
Inp [1336.00; 1336.00]   Show Hide
Inp 1336.00 NIST
Inp 1336.00 NIST
Tboil 492.54 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 [264.78; 610.16] 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-1.09170e+01
Coefficient B1.20434e+00
Coefficient C-7.60760e-04
Coefficient D1.77500e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 264.78 J/mol×K 273.00 Calculated Property
Cp,gas 327.80 J/mol×K 353.78 Calculated Property
Cp,gas 383.34 J/mol×K 434.56 Calculated Property
Cp,gas 431.98 J/mol×K 515.33 Calculated Property
Cp,gas 474.27 J/mol×K 596.11 Calculated Property
Cp,gas 510.77 J/mol×K 676.89 Calculated Property
Cp,gas 542.05 J/mol×K 757.67 Calculated Property
Cp,gas 568.67 J/mol×K 838.44 Calculated Property
Cp,gas 591.19 J/mol×K 919.22 Calculated Property
Cp,gas 610.16 J/mol×K 1000.00 Calculated Property

Similar Compounds

(4-Methylphenyl) methanol, 3-methylbutyl ether. 4-(Trifluoromethyl)phenyl methanol, n-butyl ether. 4-(Trifluoromethyl)phenyl methanol, 2-methylbutyl ether. Benzyl isopentyl ether. 4-(Trifluoromethyl)phenyl methanol, n-pentyl ether. (4-Fluorophenyl) methanol, 3-methylbutyl ether. (3-Methylphenyl) methanol, 3-methylbutyl ether. (3-Iodophenyl) methanol, 3-methylbutyl ether. (3-Fluorophenyl) methanol, 3-methylbutyl ether. (4-Methylphenyl) methanol, 2-methylbutyl ether. (2-Methylphenyl) methanol, 3-methylbutyl ether. (4-Methylphenyl) methanol, n-butyl ether. 2-Bromobenzyl alcohol, 3-methylbutyl ether. 3,4-Difluorobenzyl alcohol, 3-methylbutyl ether. 2,4-Dichlorobenzyl alcohol, 3-methylbutyl ether.

Find more compounds similar to 4-(Trifluoromethyl)phenyl methanol, 3-methylbutyl ether.

Sources

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