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

4-(Trifluoromethyl)phenyl methanol, neopentyl ether

InChI
InChI=1S/C13H17F3O/c1-12(2,3)9-17-8-10-4-6-11(7-5-10)13(14,15)16/h4-7H,8-9H2,1-3H3
InChI Key
SNLUEHIBOUEBIE-UHFFFAOYSA-N
Formula
C13H17F3O
SMILES
CC(C)(C)COCc1ccc(C(F)(F)F)cc1
Molecular Weight1
246.27
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Physical Properties

Property Value Unit Source
ΔfusH° 18.68 kJ/mol Joback Calculated Property
IE 9.34 eV Relay (1.0) Calculated Property
logPoct/wat 4.268 Crippen Calculated Property
McVol 181.450 ml/mol McGowan Calculated Property
Inp 1254.00 NIST
Tboil 490.10 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, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, 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.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [451.07; 536.16] J/mol×K [542.47; 733.27] Show Hide
Cp,gas 451.07 J/mol×K 542.47 Joback Calculated Property
Cp,gas 467.61 J/mol×K 574.27 Joback Calculated Property
Cp,gas 483.15 J/mol×K 606.07 Joback Calculated Property
Cp,gas 497.72 J/mol×K 637.87 Joback Calculated Property
Cp,gas 511.38 J/mol×K 669.67 Joback Calculated Property
Cp,gas 524.18 J/mol×K 701.47 Joback Calculated Property
Cp,gas 536.16 J/mol×K 733.27 Joback Calculated Property

Similar Compounds

4-(Trifluoromethyl)phenyl methanol, 2-methylpropyl ether. (4-Methylphenyl) methanol, neopentyl ether. 4-(Trifluoromethyl)phenyl methanol, n-propyl ether. (4-Fluorophenyl) methanol, neopentyl ether. (3-Methylphenyl) methanol, neopentyl ether. (4-Methylphenyl) methanol, 2-methylpropyl ether. 4-(Trifluoromethyl)phenyl methanol, 2-methylbutyl ether. (3-Iodophenyl) methanol, neopentyl ether. 4-(Trifluoromethyl)phenyl methanol, n-butyl ether. 4-(Trifluoromethyl)phenyl methanol, ethyl ether. 4-(Trifluoromethyl)phenyl methanol, 3-methylbutyl ether. Terephthalic acid, isobutyl 4-(trifluoromethyl)benzyl ester. 4-(Trifluoromethyl)phenyl methanol, n-pentyl ether. (4-Fluorophenyl) methanol, 2-methylpropyl ether. (3-Methylphenyl) methanol, 2-methylpropyl ether.

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

Sources

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