ChemSpider 2D Image | (7S)-7-Hydroxy-1-phenyl-1,3,5-octanetrione | C14H16O4

(7S)-7-Hydroxy-1-phenyl-1,3,5-octanetrione

  • Molecular FormulaC14H16O4
  • Average mass248.274 Da
  • Monoisotopic mass248.104858 Da
  • ChemSpider ID35033838

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(7S)-7-Hydroxy-1-phenyl-1,3,5-octanetrione [ACD/IUPAC Name]
(7S)-7-Hydroxy-1-phényl-1,3,5-octanetrione [French] [ACD/IUPAC Name]
(7S)-7-Hydroxy-1-phenyl-1,3,5-octantrion [German] [ACD/IUPAC Name]
(7s)-7-Hydroxy-1-Phenyloctane-1,3,5-Trione
1,3,5-Octanetrione, 7-hydroxy-1-phenyl-, (7S)- [ACD/Index Name]
HTK

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

Density: 1.2±0.1 g/cm3
Boiling Point: 415.6±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 70.5±3.0 kJ/mol
Flash Point: 219.3±19.7 °C
Index of Refraction: 1.531
Molar Refractivity: 65.6±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.52
ACD/LogD (pH 5.5): 2.63
ACD/BCF (pH 5.5): 58.56
ACD/KOC (pH 5.5): 639.32
ACD/LogD (pH 7.4): 2.40
ACD/BCF (pH 7.4): 34.36
ACD/KOC (pH 7.4): 375.14
Polar Surface Area: 71 Å2
Polarizability: 26.0±0.5 10-24cm3
Surface Tension: 47.0±3.0 dyne/cm
Molar Volume: 212.1±3.0 cm3

Click to predict properties on the Chemicalize site


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