Chemical Properties of Clobutinol (CAS 14860-49-2)

Clobutinol

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InChI
InChI=1S/C14H22ClNO/c1-11(10-16(3)4)14(2,17)9-12-5-7-13(15)8-6-12/h5-8,11,17H,9-10H2,1-4H3
InChI Key
KVHHQGIIZCJATJ-UHFFFAOYSA-N
Formula
C14H22ClNO
SMILES
CC(CN(C)C)C(C)(O)Cc1ccc(Cl)cc1
Molecular Weight1
255.78
CAS
14860-49-2
Other Names
  • 1-(4-Chlorophenyl)-2,3-dimethyl-4-dimethylamino-2-butanol
  • Benzeneethanol, 4-chloro-«alpha»-(2-(dimethylamino)-1-methyl)-«alpha»-methyl-
  • Benzeneethanol, 4-chloro-«alpha»-[2-(dimethylamino)-1-methylethyl]-«alpha»-methyl-
  • Phenethyl alcohol, p-chloro-«alpha»-[2-(dimethylamino)-1-methylethyl]-«alpha»-methyl-
  • p-Chloro-«alpha»-(2-(dimethylamino)-1-methylethyl)-«alpha»-methyl-phenethyl alcohol
  • p-Chloro-«alpha»-[2-(dimethylamino)-1-methylethyl]-«alpha»-methylphenyl alcohol
  • p-Cloro-«alpha»-(2-(dimetilamino)-1-metiletil)-«alpha»-metil fenetil alcool
Sources

Physical Properties

Property Value Unit Source
Δf 132.21 kJ/mol Joback Calculated Property
Δfgas -221.70 kJ/mol Joback Calculated Property
Δfus 26.04 kJ/mol Joback Calculated Property
Δvap 71.12 kJ/mol Joback Calculated Property
logPoct/wat 2.83 Crippen Calculated Property
Pc 2131.49 kPa Joback Calculated Property
Tboil 689.76 K Joback Calculated Property
Tc 889.00 K Joback Calculated Property
Tfus 397.11 K Joback Calculated Property
Vc 0.78 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 579.03 J/mol×K 689.76 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 1
-Cl 1
=CH- (ring) 4
-OH (alcohol) 1
-CH2- 2
=C< (ring) 2
>N- 1
>C< 1
-CH3 4

Similar Compounds

4-Benzyl-4-hydroxypiperidine. P-chloro-.alpha.,.alpha.-dimethylphenethyl alcohol. Benzeneethanol, «alpha»-[2-(dimethylamino)-1-methylethyl]-«alpha»-phenyl-. Benzene, [1-chloro-4-(3-methylbutyl)]. 4-Benzylpiperidine. Phenethylamine, 4-chloro-alpha,alpha-dimethyl-, hydrochloride. Chlorphentermine. Piperidine, 4-(diphenylmethyl)-. Benzeneethanol, .alpha.-ethyl-. 4-n-Butylchlorobenzene. 2-Methyl-1-phenyl-2-propanol. 4-Chlorophenyl cyclopropyl ketone. 2-(p-Chlorophenyl)-3-methylbutyric acid. 3-Methyl-1-[4-(chloromethyl)phenyl]-1-butanone. Clotermine.

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