Chemical Properties of 1-Hexanone, 1-phenyl- (CAS 942-92-7)

1-Hexanone, 1-phenyl-

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InChI
InChI=1S/C12H16O/c1-2-3-5-10-12(13)11-8-6-4-7-9-11/h4,6-9H,2-3,5,10H2,1H3
InChI Key
MAHPVQDVMLWUAG-UHFFFAOYSA-N
Formula
C12H16O
SMILES
CCCCCC(=O)c1ccccc1
Molecular Weight1
176.25
CAS
942-92-7
Other Names
  • 1-Phenyl-1-hexanone
  • Caprophenone
  • Hexanophenone
  • Hexaphenone
  • Pentyl phenyl ketone
  • n-Amylphenyl ketone
  • n-Hexanophenone
Sources

Physical Properties

Property Value Unit Source
Δf 33.65 kJ/mol Joback Calculated Property
Δfgas -167.06 kJ/mol Joback Calculated Property
Δfus 22.48 kJ/mol Joback Calculated Property
Δvap 51.33 kJ/mol Joback Calculated Property
logPoct/wat 3.45 Crippen Calculated Property
Pc 2561.10 kPa Joback Calculated Property
Tboil 538.20 K NIST
Tboil 396.20 K NIST
Tc 762.63 K Joback Calculated Property
Tfus 301.35 K Joback Calculated Property
Vc 0.61 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 368.41 J/mol×K 554.51 Joback Calculated Property
η 0.00 Pa×s 554.51 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
=C< (ring) 1
-CH2- 4
>C=O (nonring) 1
-CH3 1
=CH- (ring) 5

Similar Compounds

1,4-Dibenzoyl-butane. Heptanophenone. DODECANOPHENONE. 1-Decanone, 1-phenyl-. 1-Phenylnonan-1-one. 1-Octanone, 1-phenyl-. Tetradecanophenone. n-Undecanophenone. HEXADECANOPHENONE. Pentadecanophenone. Octadecanophenone. Valerophenone. 9-Methyl-1-phenyldecan-1-one. Isocaprophenone. 1,4-Di-(p-methyl benzoyl)-butane.

Find more compounds similar to 1-Hexanone, 1-phenyl-.

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