Chemical Properties of Phenol, 2,4,6-tribromo- (CAS 118-79-6)

Phenol, 2,4,6-tribromo-

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InChI
InChI=1S/C6H3Br3O/c7-3-1-4(8)6(10)5(9)2-3/h1-2,10H
InChI Key
BSWWXRFVMJHFBN-UHFFFAOYSA-N
Formula
C6H3Br3O
SMILES
Oc1c(Br)cc(Br)cc1Br
Molecular Weight1
330.80
CAS
118-79-6
Other Names
  • 1,3,5-Tribromo-2-hydroxybenzene
  • 2,4,6-Tribromophenol
  • Bromkal Pur 3
  • Bromol
  • Emery 9332
  • FR-613
  • Flammex 3BP
  • Great Lakes PH-73
  • NSC 2136
  • PH 73
  • TA 10
  • TBP
Sources

Physical Properties

Property Value Unit Source
Δcsolid -2689.20 ± 3.50 kJ/mol NIST
Δf -18.87 kJ/mol Joback Calculated Property
Δfgas -0.90 ± 2.50 kJ/mol NIST
Δfsolid -101.00 ± 4.00 kJ/mol NIST
Δfsolid -98.50 ± 2.30 kJ/mol NIST
Δfus 26.20 kJ/mol Joback Calculated Property
Δsub 97.60 ± 1.10 kJ/mol NIST
Δvap 64.87 kJ/mol Joback Calculated Property
logPoct/wat 3.68 Crippen Calculated Property
Pc 7735.33 kPa Joback Calculated Property
Tboil 559.20 K NIST
Tc 934.99 K Joback Calculated Property
Tfus 368.65 ± 2.00 K NIST
Tfus 368.00 ± 1.50 K NIST
Tfus 366.00 ± 3.00 K NIST
Vc 0.42 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 218.69 J/mol×K 652.42 Joback Calculated Property
Cp,solid 172.00 J/mol×K 298.15 NIST
η 0.00 Pa×s 652.42 Joback Calculated Property
ΔfusH 18.52 kJ/mol 366.2 NIST
ΔfusH 18.52 kJ/mol 366.2 NIST
ΔfusH 20.90 kJ/mol 367.5 NIST

Molecular Descriptors

Joback and Reid Groups
=C< (ring) 4
-OH (phenol) 1
-Br 3
=CH- (ring) 2

Similar Compounds

Phenol, 2,4-dibromo-. Phenol, 2,6-dibromo-. Benzene, 1,3,5-tribromo-2-methoxy-. Phenol, 2-bromo-. 2,3,4,6-Tetrabromophenol. Pentabromophenol. Benzene, 2,4-dibromo-1-methoxy-. 1,3-Benzenediol, 4-bromo-. Benzene, 1,3-dibromo-2-methoxy-. Phenol, 4-amino-2,6-dibromo-. Phenol, 2,6-dibromo-4-methyl-. 4-Bromophenol. 2,4,4'-Tribromodiphenyl ether. 4,6-Dibromo-o-cresol. Dibromophenyl ether.

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