ChemSpider 2D Image | MFCD00229748 | C10H14O2

MFCD00229748

  • Molecular FormulaC10H14O2
  • Average mass166.217 Da
  • Monoisotopic mass166.099380 Da
  • ChemSpider ID21503757

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

(4aS)-Octahydro-1,4-naphtalènedione [French] [ACD/IUPAC Name]
(4aS)-Octahydro-1,4-naphthalenedione [ACD/IUPAC Name]
(4aS)-Octahydro-1,4-naphthalindion [German] [ACD/IUPAC Name]
1,4-Naphthalenedione, octahydro-, (4aS)- [ACD/Index Name]
MFCD00229748
OCTAHYDRO-(1,4)NAPHTHOQUINONE
1217522-19-4 [RN]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 299.7±33.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 54.0±3.0 kJ/mol
Flash Point: 111.9±22.4 °C
Index of Refraction: 1.499
Molar Refractivity: 44.4±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 0.63
ACD/LogD (pH 5.5): 0.83
ACD/BCF (pH 5.5): 2.53
ACD/KOC (pH 5.5): 67.68
ACD/LogD (pH 7.4): 0.83
ACD/BCF (pH 7.4): 2.53
ACD/KOC (pH 7.4): 67.68
Polar Surface Area: 34 Å2
Polarizability: 17.6±0.5 10-24cm3
Surface Tension: 38.7±3.0 dyne/cm
Molar Volume: 151.4±3.0 cm3

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