Chemical Properties of Phenol, 2,6-dichloro- (CAS 87-65-0)

Phenol, 2,6-dichloro-

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InChI
InChI=1S/C6H4Cl2O/c7-4-2-1-3-5(8)6(4)9/h1-3,9H
InChI Key
HOLHYSJJBXSLMV-UHFFFAOYSA-N
Formula
C6H4Cl2O
SMILES
Oc1c(Cl)cccc1Cl
Molecular Weight1
163.00
CAS
87-65-0
Other Names
  • 2,6-Dichlorfenol
  • 2,6-Dichlorophenol
  • Rcra waste number U082
Sources

Physical Properties

Property Value Unit Source
Δcsolid -2758.00 ± 0.70 kJ/mol NIST
Δf -76.06 kJ/mol Joback Calculated Property
Δfgas -146.30 ± 1.50 kJ/mol NIST
Δfsolid -222.10 ± 1.10 kJ/mol NIST
Δfus 19.13 kJ/mol Joback Calculated Property
Δsub 79.30 ± 0.20 kJ/mol NIST
Δsub 75.80 ± 1.00 kJ/mol NIST
Δsub 75.80 ± 1.10 kJ/mol NIST
Δvap 59.60 ± 0.30 kJ/mol NIST
Δvap 58.50 ± 0.50 kJ/mol NIST
IE 8.65 ± 0.02 eV NIST
logPoct/wat 2.70 Crippen Calculated Property
Pc 5080.25 kPa Joback Calculated Property
Tboil 492.20 K NIST
Tboil 355.70 K NIST
Tc 770.43 K Joback Calculated Property
Tfus 340.00 ± 0.20 K NIST
Vc 0.33 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 186.59 J/mol×K 523.82 Joback Calculated Property
η 0.00 Pa×s 523.82 Joback Calculated Property
ΔfusH 22.14 kJ/mol 340.0 NIST
ΔfusH 22.14 kJ/mol 340.0 NIST
ΔvapH 55.40 kJ/mol 356.0 NIST
ΔvapH 51.60 kJ/mol 400.0 NIST
ΔvapH 57.90 kJ/mol 413.0 NIST
ΔfusS 65.12 J/mol×K 340.0 NIST

Molecular Descriptors

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

Similar Compounds

Phenol, 2,4,6-trichloro-. Phenol, 2,4-dichloro-. 2-Chlorophenol. 2,6-Dichloro-1,4-benzenediol. Benzene, 1,3-dichloro-2-methoxy-. Phenol, 2,3-dichloro-. Phenol, 2,3,6-trichloro-. Phenol, 3,5-dichloro-. 2,3,5,6-Tetrachloro phenol. Phenol, 2,5-dichloro-. Phenol, 2,3,5-trichloro-. Phenol, 4-amino-2,6-dichloro-. 1,3-Benzenediol, 4-chloro-. 2,6-Dichloro-4-fluorophenol. 2,3,4-Trichlorophenol.

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