Chemical Properties of Phenol, 3,4-dichloro- (CAS 95-77-2)

Phenol, 3,4-dichloro-

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InChI
InChI=1S/C6H4Cl2O/c7-5-2-1-4(9)3-6(5)8/h1-3,9H
InChI Key
WDNBURPWRNALGP-UHFFFAOYSA-N
Formula
C6H4Cl2O
SMILES
Oc1ccc(Cl)c(Cl)c1
Molecular Weight1
163.00
CAS
95-77-2
Other Names
  • 3,4-Dichlorophenol
  • 4,5-Dichlorophenol
Sources

Physical Properties

Property Value Unit Source
Δcsolid -2748.60 ± 0.80 kJ/mol NIST
Δf -76.06 kJ/mol Joback Calculated Property
Δfgas -150.30 ± 2.50 kJ/mol NIST
Δfsolid -231.60 ± 1.10 kJ/mol NIST
Δfus 19.13 kJ/mol Joback Calculated Property
Δsub 89.80 ± 0.40 kJ/mol NIST
Δsub 81.30 ± 2.30 kJ/mol NIST
Δsub 81.30 ± 2.30 kJ/mol NIST
Δvap 70.80 ± 0.20 kJ/mol NIST
logPoct/wat 2.70 Crippen Calculated Property
Pc 5080.25 kPa Joback Calculated Property
Tboil 418.70 K NIST
Tboil 526.70 K NIST
Tc 770.43 K Joback Calculated Property
Tfus 338.11 ± 0.20 K NIST
Tfus 341.00 ± 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 20.93 kJ/mol 341.0 NIST
ΔfusH 20.93 kJ/mol 341.0 NIST
ΔfusH 20.93 kJ/mol 341.0 NIST
ΔvapH 66.70 kJ/mol 354.5 NIST
ΔfusS 61.37 J/mol×K 341.0 NIST

Molecular Descriptors

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

Similar Compounds

Phenol, 3,4,5-trichloro-. 3,4-Dichloroanisole. Phenol, 2,3-dichloro-. Phenol, 3-chloro-. Sodium 2,4,5-trichlorophenolate hydrate. Phenol, 2,4,5-trichloro-. Phenol, 3,5-dichloro-. 2,3,4-Trichlorophenol. 1,2-Benzenediol, 4-chloro-. Benzene, 1,2,3-trichloro-5-methoxy-. Phenol, 2,3,4,5-tetrachloro-. Phenol, 2,5-dichloro-. Phenol, 2,3,4,6-tetrachloro-. 2,3,4,6-Tetrachlorophenol, sodium salt, hydrate. p-Chlorophenol.

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