Chemical Properties of 2,4,6-tribromo-3-methylphenyl trifluoroacetate

2,4,6-tribromo-3-methylphenyl trifluoroacetate

InChI
InChI=1S/C9H4Br3F3O2/c1-3-4(10)2-5(11)7(6(3)12)17-8(16)9(13,14)15/h2H,1H3
InChI Key
AOOXTTARAUMVQT-UHFFFAOYSA-N
Formula
C9H4Br3F3O2
SMILES
Cc1c(Br)cc(Br)c(OC(=O)C(F)(F)F)c1Br
Molecular Weight1
440.83
Other Names
  • 2,4,6-Tribromo-3-trifluoroacetyloxytoluene
  • 2,4,6-Tribromo-m-cresol trifluoroacetate
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Physical Properties

Property Value Unit Source
ΔfusH° 32.02 kJ/mol Joback Calculated Property
logPoct/wat 4.750 Crippen Calculated Property
McVol 179.160 ml/mol McGowan Calculated Property
Inp 1660.00 NIST

Cheméo can also estimate Normal Boiling Point Temperature, 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, 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.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [371.16; 405.89] J/mol×K [721.27; 958.77] Show Hide
Cp,gas 371.16 J/mol×K 721.27 Joback Calculated Property
Cp,gas 378.29 J/mol×K 760.85 Joback Calculated Property
Cp,gas 384.80 J/mol×K 800.44 Joback Calculated Property
Cp,gas 390.77 J/mol×K 840.02 Joback Calculated Property
Cp,gas 396.23 J/mol×K 879.60 Joback Calculated Property
Cp,gas 401.26 J/mol×K 919.18 Joback Calculated Property
Cp,gas 405.89 J/mol×K 958.77 Joback Calculated Property

Similar Compounds

2,4,6-Tribromo-3-methylphenyl acetate. 2,4,6-Tribromo-3-methylphenol. Benzene, 1,5-dibromo-2-methoxy-4-methyl-. 2,4,6-Tribromo-3-methyl-phenol, trimethylsilyl ether. 2,4,6-Tribromo-3-methylphenyl tert-butyldimethylsilyl ether. m-Hydroxyphenylacetic acid, TFA-ME. 2,5-Di hydroxyphenylacetic acid, TFA-ME. 2-Bromo-5-methoxytoluene. Succinic acid, 2-bromo-4-fluorophenyl 3,4-dimethylphenyl ester. Phenylacetic acid, 2-bromo-4-fluorophenyl ester. 3,4-Di hydroxyphenylacetic acid, TFA-ME. Succinic acid, 4-chloro-3-methylphenyl 2-bromo-4-fluorophenyl ester. Diethylmalonic acid, ethyl 3-ethylphenyl ester. Diethylmalonic acid, 3-ethylphenyl isobutyl ester. Diethylmalonic acid, isobutyl 3-methylphenyl ester.

Find more compounds similar to 2,4,6-tribromo-3-methylphenyl trifluoroacetate.

Sources

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