Chemical Properties of Phenol, pentachloro- (CAS 87-86-5)

Phenol, pentachloro-

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InChI
InChI=1S/C6HCl5O/c7-1-2(8)4(10)6(12)5(11)3(1)9/h12H
InChI Key
IZUPBVBPLAPZRR-UHFFFAOYSA-N
Formula
C6HCl5O
SMILES
Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl
Molecular Weight1
266.34
CAS
87-86-5
Other Names
  • Phenol, pentachloro-
Sources

Physical Properties

Property Value Unit Source
Δcsolid -2329.70 ± 2.90 kJ/mol NIST
Δf -140.74 kJ/mol Joback Calculated Property
Δfgas -232.53 kJ/mol Joback Calculated Property
Δfsolid -292.50 ± 3.00 kJ/mol NIST
Δfus 30.55 kJ/mol Joback Calculated Property
Δsub 91.60 ± 0.50 kJ/mol NIST
Δvap 68.81 kJ/mol Joback Calculated Property
logPoct/wat 4.66 Crippen Calculated Property
Pc 4114.41 kPa Joback Calculated Property
solid,1 bar 253.17 J/mol×K NIST
Tboil 583.20 K NIST
Tc 911.48 K Joback Calculated Property
Tfus 463.84 ± 0.20 K NIST
Tfus 462.50 ± 0.10 K NIST
Tfus 462.80 ± 0.10 K NIST
Vc 0.47 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 231.90 J/mol×K 651.05 Joback Calculated Property
Cp,solid 201.96 J/mol×K 298.15 NIST
η 0.00 Pa×s 651.05 Joback Calculated Property
ΔfusH 17.15 kJ/mol 462.5 NIST
ΔvapH 69.00 kJ/mol 485.0 NIST

Molecular Descriptors

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

Similar Compounds

Pentachlorophenol sodium salt, hydrate. 2,3,4,6-Tetrachlorophenol, sodium salt, hydrate. Phenol, 2,3,4,6-tetrachloro-. Phenol, 2,3,4,5-tetrachloro-. 2,3,4-Trichlorophenol. 2,3,5,6-Tetrachloro phenol. Phenol, 2,3,6-trichloro-. Phenol, 2,4,5-trichloro-. Sodium 2,4,5-trichlorophenolate hydrate. Phenol, 2,3,5-trichloro-. Anisole, 2,3,4,5,6-pentachloro-. Benzene, 1,2,3,5-tetrachloro-4-methoxy-. Benzene, 1,2,3,4-tetrachloro-5-methoxy-. Phenol, 3,4,5-trichloro-. Benzene, 1,2,4,5-tetrachloro-3-methoxy-.

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