ChemSpider 2D Image | 1-[4-(trans-4-Pentylcyclohexyl)phenyl]ethanone | C19H28O

1-[4-(trans-4-Pentylcyclohexyl)phenyl]ethanone

  • Molecular FormulaC19H28O
  • Average mass272.425 Da
  • Monoisotopic mass272.214020 Da
  • ChemSpider ID24590727

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1-[4-(trans-4-Pentylcyclohexyl)phenyl]ethanon [German] [ACD/IUPAC Name]
1-[4-(trans-4-Pentylcyclohexyl)phenyl]ethanone [ACD/IUPAC Name]
1-[4-(trans-4-Pentylcyclohexyl)phényl]éthanone [French] [ACD/IUPAC Name]
78531-59-6 [RN]
Ethanone, 1-[4-(trans-4-pentylcyclohexyl)phenyl]- [ACD/Index Name]
1-(4-((1s,4r)-4-pentylcyclohexyl)phenyl)ethan-1-one
1-(4-(trans-4-pentylcyclohexyl)phenyl)ethanone
4'-(trans-4-n-Pentylcyclohexyl)acetophenone
4-(trans-4-n-Pentylcyclohexyl)acetophenone
4-trans acetophenone
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CCRIS 4693 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 0.9±0.1 g/cm3
Boiling Point: 392.2±21.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 64.2±3.0 kJ/mol
Flash Point: 167.1±17.0 °C
Index of Refraction: 1.502
Molar Refractivity: 85.4±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 6.80
ACD/LogD (pH 5.5): 6.69
ACD/BCF (pH 5.5): 71019.95
ACD/KOC (pH 5.5): 103323.30
ACD/LogD (pH 7.4): 6.69
ACD/BCF (pH 7.4): 71019.95
ACD/KOC (pH 7.4): 103323.30
Polar Surface Area: 17 Å2
Polarizability: 33.8±0.5 10-24cm3
Surface Tension: 34.7±3.0 dyne/cm
Molar Volume: 289.3±3.0 cm3

Click to predict properties on the Chemicalize site


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