Chemical Properties of Heptanophenone (CAS 1671-75-6)

Heptanophenone

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InChI
InChI=1S/C13H18O/c1-2-3-4-8-11-13(14)12-9-6-5-7-10-12/h5-7,9-10H,2-4,8,11H2,1H3
InChI Key
UXMQORVHJMUQFD-UHFFFAOYSA-N
Formula
C13H18O
SMILES
CCCCCCC(=O)c1ccccc1
Molecular Weight1
190.28
CAS
1671-75-6
Other Names
  • 1-Heptanone, 1-phenyl-
  • 1-Phenylheptan-1-one
  • n-Heptanophenone
Sources

Physical Properties

Property Value Unit Source
Δf 42.07 kJ/mol Joback Calculated Property
Δfgas -187.70 kJ/mol Joback Calculated Property
Δfus 25.07 kJ/mol Joback Calculated Property
Δvap 53.55 kJ/mol Joback Calculated Property
logPoct/wat 3.84 Crippen Calculated Property
Pc 2329.27 kPa Joback Calculated Property
Tboil 428.20 K NIST
Tc 782.30 K Joback Calculated Property
Tfus 290.00 ± 3.00 K NIST
Vc 0.66 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 416.88 J/mol×K 577.39 Joback Calculated Property
η 0.00 Pa×s 577.39 Joback Calculated Property
ΔvapH 64.60 kJ/mol 461.5 NIST

Molecular Descriptors

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

Similar Compounds

1-Phenylnonan-1-one. Pentadecanophenone. Octadecanophenone. 1-Decanone, 1-phenyl-. n-Undecanophenone. DODECANOPHENONE. HEXADECANOPHENONE. Tetradecanophenone. 1-Octanone, 1-phenyl-. 1-Hexanone, 1-phenyl-. 9-Methyl-1-phenyldecan-1-one. 1,4-Dibenzoyl-butane. Valerophenone. 6-Benzoylhexanoic acid. Isocaprophenone.

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