Chemical Properties of 4-Bromo-2,6-difluorobenzyl alcohol, 3-methylbutyl ether

4-Bromo-2,6-difluorobenzyl alcohol, 3-methylbutyl ether

InChI
InChI=1S/C12H15BrF2O/c1-8(2)3-4-16-7-10-11(14)5-9(13)6-12(10)15/h5-6,8H,3-4,7H2,1-2H3
InChI Key
CLROFRBWOACKRB-UHFFFAOYSA-N
Formula
C12H15BrF2O
SMILES
CC(C)CCOCc1c(F)cc(Br)cc1F
Molecular Weight1
293.15
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Physical Properties

Property Value Unit Source
ΔfusH° 28.82 kJ/mol Joback Calculated Property
ΔvapH° 70.16 kJ/mol Relay (1.0) Calculated Property
logPoct/wat 4.290 Crippen Calculated Property
McVol 183.090 ml/mol McGowan Calculated Property
Inp [1525.00; 1525.00]   Show Hide
Inp 1525.00 NIST
Inp 1525.00 NIST
Tboil 537.45 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 [255.92; 553.02] 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 A4.51630e+01
Coefficient B8.90940e-01
Coefficient C-4.55480e-04
Coefficient D7.24000e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 255.92 J/mol×K 273.00 Calculated Property
Cp,gas 306.56 J/mol×K 353.78 Calculated Property
Cp,gas 352.25 J/mol×K 434.56 Calculated Property
Cp,gas 393.24 J/mol×K 515.33 Calculated Property
Cp,gas 429.74 J/mol×K 596.11 Calculated Property
Cp,gas 461.99 J/mol×K 676.89 Calculated Property
Cp,gas 490.22 J/mol×K 757.67 Calculated Property
Cp,gas 514.64 J/mol×K 838.44 Calculated Property
Cp,gas 535.50 J/mol×K 919.22 Calculated Property
Cp,gas 553.02 J/mol×K 1000.00 Calculated Property

Similar Compounds

4-Bromo-2,6-difluorobenzyl alcohol, 2-methylbutyl ether. 4-Bromo-2,6-difluorobenzyl alcohol, n-butyl ether. 4-Bromo-2,6-difluorobenzyl alcohol, n-pentyl ether. 2,3,6-Trifluorobenzyl alcohol, 3-methylbutyl ether. 4-Bromo-2,6-difluorobenzyl alcohol, 2-methylpropyl ether. 4-Bromo-2,6-difluorobenzyl alcohol, n-propyl ether. Succinic acid, 4-bromo-2,6-difluorobenzyl butyl ester. (2-Fluorophenyl) methanol, 3-methylbutyl ether. 2,5-Difluorobenzyl alcohol, 3-methylbutyl ester. 2,4,5-Trifluorobenzyl alcohol, 3-methylbutyl ether. 4-Bromo-2,6-difluorobenzyl alcohol, 1-methylpropyl ether. 2,3,6-Trifluorobenzyl alcohol,2-methylbutyl ether. Glutaric acid, 2,6-difluoro-4-bromobenzyl butyl ester. Succinic acid, 4-bromo-2,6-difluorobenzyl pentyl ester. Succinic acid, 4-bromo-2,6-difluorobenzyl isobutyl ester.

Find more compounds similar to 4-Bromo-2,6-difluorobenzyl alcohol, 3-methylbutyl ether.

Sources

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