Chemical Properties of Pentabromophenol (CAS 608-71-9)

Pentabromophenol

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InChI
InChI=1S/C6HBr5O/c7-1-2(8)4(10)6(12)5(11)3(1)9/h12H
InChI Key
SVHOVVJFOWGYJO-UHFFFAOYSA-N
Formula
C6HBr5O
SMILES
Oc1c(Br)c(Br)c(Br)c(Br)c1Br
Molecular Weight1
488.59
CAS
608-71-9
Other Names
  • Flammex 5BP
  • Pentabromfenol
  • Pentabromophenol
Sources

Physical Properties

Property Value Unit Source
Δf -9.49 kJ/mol Joback Calculated Property
Δfgas -22.18 kJ/mol Joback Calculated Property
Δfus 35.99 kJ/mol Joback Calculated Property
Δvap 79.06 kJ/mol Joback Calculated Property
logPoct/wat 5.20 Crippen Calculated Property
Pc 9444.29 kPa Joback Calculated Property
Tboil 794.70 K Joback Calculated Property
Tc 1099.10 K Joback Calculated Property
Tfus 644.60 K Joback Calculated Property
Vc 0.54 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 248.14 J/mol×K 794.7 Joback Calculated Property
η 0.00 Pa×s 794.7 Joback Calculated Property
ΔfusH 11.29 kJ/mol 441.5 NIST
ΔfusH 19.14 kJ/mol 502.0 NIST
ΔfusS 25.57 J/mol×K 441.5 NIST
ΔfusS 38.13 J/mol×K 502.0 NIST

Molecular Descriptors

Joback and Reid Groups
=C< (ring) 6
-OH (phenol) 1
-Br 5

Similar Compounds

2,3,4,6-Tetrabromophenol. 2,4,5-Tribromoanisole. Phenol, 2,4,6-tribromo-. Benzene, 1,1'-oxybis[pentabromo-. Phenol, 2,4-dibromo-. 2,2',4,4',5,-Penabromodiphenyl ether. 2,2',4,4',5,5'-Hexabromodiphenyl ether. Phenol, 2,6-dibromo-. 2,3,5,6-Tetrabromo-4-chlorophenol. Phenol, 2,3,5,6-tetrabromo-4-methyl-. Benzene, 1,3,5-tribromo-2-methoxy-. Benzene, 2,4-dibromo-1-methoxy-. Benzene, 1,3-dibromo-2-methoxy-. 3,3',4,4'-Tetrabromodiphenyl ether. octabromodibenzodioxin.

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