Chemical Properties of p-Chlorophenol (CAS 106-48-9)

p-Chlorophenol

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InChI
InChI=1S/C6H5ClO/c7-5-1-3-6(8)4-2-5/h1-4,8H
InChI Key
WXNZTHHGJRFXKQ-UHFFFAOYSA-N
Formula
C6H5ClO
SMILES
Oc1ccc(Cl)cc1
Molecular Weight1
128.56
CAS
106-48-9
Other Names
  • 4-Chlorophenol
  • 4-Hydroxychlorobenzene
  • Applied 3-78
  • NSC 2877
  • Parachlorophenol
  • Phenol, p-chloro-
  • p-Chlorfenol
  • p-Chlorophenic acid
  • p-Chlorophenol
Sources

Physical Properties

Property Value Unit Source
Δcliquid -2917.90 ± 8.40 kJ/mol NIST
Δcsolid -2901.60 ± 8.40 kJ/mol NIST
Δf -54.50 kJ/mol Joback Calculated Property
Δfgas -123.69 kJ/mol Joback Calculated Property
Δfus 15.32 kJ/mol Joback Calculated Property
Δsub 77.10 ± 0.20 kJ/mol NIST
Δvap 64.40 ± 0.30 kJ/mol NIST
IE 9.07 eV NIST
IE 8.69 eV NIST
logPoct/wat 2.05 Crippen Calculated Property
Pc 5478.85 kPa Joback Calculated Property
Tboil 492.90 K NIST
Tboil 492.90 ± 0.40 K NIST
Tc 721.38 K Joback Calculated Property
Tfus 316.00 ± 0.20 K NIST
Vc 0.28 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 167.36 J/mol×K 481.41 Joback Calculated Property
η 0.00 Pa×s 481.41 Joback Calculated Property
ΔfusH 14.07 kJ/mol 315.9 NIST
ΔfusH 14.07 kJ/mol 315.9 NIST
ΔfusH 14.07 kJ/mol 316.0 NIST
ΔsubH 60.80 kJ/mol 272.5 NIST
ΔsubH 54.00 ± 1.00 kJ/mol 297.0 NIST
ΔvapH 61.90 kJ/mol 334.5 NIST
ΔvapH 52.80 kJ/mol 408.0 NIST
ΔvapH 60.60 kJ/mol 433.0 NIST
ΔfusS 44.51 J/mol×K 316.0 NIST

Molecular Descriptors

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

Similar Compounds

Phenol, 3-chloro-. Benzene, 1-chloro-4-methoxy-. 2-Chlorophenol. 1,3-Benzenediol, 4-chloro-. Phenol, 3,4-dichloro-. 1,2-Benzenediol, 4-chloro-. Phenol, 2,4-dichloro-. Phenol, 3,5-dichloro-. 1-Chloro-4-ethoxybenzene. Benzene, 1,1'-oxybis[4-chloro-. Benzene, 1-chloro-4-phenoxy-. .alpha.,para-Dichloroanisole. Phenol, 2,4,6-trichloro-. Phenol, 2,6-dichloro-. Ethanol, 2-(4-chlorophenoxy)-.

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