Chemical Properties of .GAMMA.-chlorobutyrophenone (CAS 939-52-6)

.GAMMA.-chlorobutyrophenone

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InChI
InChI=1S/C10H11ClO/c11-8-4-7-10(12)9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2
InChI Key
GHEFQKHLHFXSBR-UHFFFAOYSA-N
Formula
C10H11ClO
SMILES
O=C(CCCCl)c1ccccc1
Molecular Weight1
182.65
CAS
939-52-6
Other Names
  • 1-Butanone, 4-chloro-1-phenyl-
  • 4-Chlorobutyrophenone
  • «omega»-Chlorobutyrophenone
Sources

Physical Properties

Property Value Unit Source
Δf 4.88 kJ/mol Joback Calculated Property
Δfgas -141.52 kJ/mol Joback Calculated Property
Δfus 21.49 kJ/mol Joback Calculated Property
Δvap 51.26 kJ/mol Joback Calculated Property
logPoct/wat 2.89 Crippen Calculated Property
Pc 3015.64 kPa Joback Calculated Property
Tboil 546.18 K Joback Calculated Property
Tc 765.90 K Joback Calculated Property
Tfus 308.73 K Joback Calculated Property
Vc 0.54 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 303.13 J/mol×K 546.18 Joback Calculated Property
η 0.00 Pa×s 546.18 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
=C< (ring) 1
-CH2- 3
>C=O (nonring) 1
-Cl 1
=CH- (ring) 5

Similar Compounds

1-Butanone, 1-phenyl-. 1-Butanone, 3-methyl-1-phenyl-. Valerophenone. «beta»-Cyanopropiophenone. 1-(4-Tolyl)-1-butanone. 1-Butanone, 1,4-diphenyl-. 1-Butanone, 4-chloro-1-(4-fluorophenyl)-. 1-Hexanone, 1-phenyl-. 1,4-Butanedione, 1,4-diphenyl-. Isocaprophenone. 1-Butanone, 2-methyl-1-phenyl-. 1-Propanone, 1-phenyl-. Cyclopropyl phenyl ketone. Heptanophenone. 1,4-Dibenzoyl-butane.

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