Found 3 results

Search term: WSUFWNZZLUXQOY (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 1-{4-[(2S)-2-Butanyl]phenyl}ethanone | C12H16O

1-{4-[(2S)-2-Butanyl]phenyl}ethanone

  • Molecular FormulaC12H16O
  • Average mass176.255 Da
  • Monoisotopic mass176.120117 Da
  • ChemSpider ID32786814

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1-{4-[(2S)-2-Butanyl]phenyl}ethanon [German] [ACD/IUPAC Name]
1-{4-[(2S)-2-Butanyl]phenyl}ethanone [ACD/IUPAC Name]
1-{4-[(2S)-2-Butanyl]phényl}éthanone [French] [ACD/IUPAC Name]
35243-55-1 [RN]
Ethanone, 1-[4-(1-methylpropyl)phenyl]-, (S)-
Ethanone, 1-[4-[(1S)-1-methylpropyl]phenyl]- [ACD/Index Name]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 272.3±9.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 51.1±3.0 kJ/mol
Flash Point: 110.4±13.7 °C
Index of Refraction: 1.499
Molar Refractivity: 55.1±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.54
ACD/LogD (pH 5.5): 3.61
ACD/BCF (pH 5.5): 328.29
ACD/KOC (pH 5.5): 2201.61
ACD/LogD (pH 7.4): 3.61
ACD/BCF (pH 7.4): 328.29
ACD/KOC (pH 7.4): 2201.61
Polar Surface Area: 17 Å2
Polarizability: 21.8±0.5 10-24cm3
Surface Tension: 32.4±3.0 dyne/cm
Molar Volume: 187.5±3.0 cm3

Click to predict properties on the Chemicalize site


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