ChemSpider 2D Image | (4aR,8aS)-3,4,4a,5,8,8a-Hexahydro-1(2H)-naphthalenone | C10H14O

(4aR,8aS)-3,4,4a,5,8,8a-Hexahydro-1(2H)-naphthalenone

  • Molecular FormulaC10H14O
  • Average mass150.218 Da
  • Monoisotopic mass150.104462 Da
  • ChemSpider ID26234521
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

(4aR,8aS)-3,4,4a,5,8,8a-Hexahydro-1(2H)-naphtalénone [French] [ACD/IUPAC Name]
(4aR,8aS)-3,4,4a,5,8,8a-Hexahydro-1(2H)-naphthalenone [ACD/IUPAC Name]
(4aR,8aS)-3,4,4a,5,8,8a-Hexahydro-1(2H)-naphthalinon [German] [ACD/IUPAC Name]
1(2H)-Naphthalenone, 3,4,4a,5,8,8a-hexahydro-, (4aR,8aS)- [ACD/Index Name]
70749-10-9 [RN]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.0±0.1 g/cm3
Boiling Point: 244.1±19.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 48.1±3.0 kJ/mol
Flash Point: 97.0±16.5 °C
Index of Refraction: 1.504
Molar Refractivity: 43.9±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 1.99
ACD/LogD (pH 5.5): 2.40
ACD/BCF (pH 5.5): 39.35
ACD/KOC (pH 5.5): 482.22
ACD/LogD (pH 7.4): 2.40
ACD/BCF (pH 7.4): 39.35
ACD/KOC (pH 7.4): 482.22
Polar Surface Area: 17 Å2
Polarizability: 17.4±0.5 10-24cm3
Surface Tension: 34.9±3.0 dyne/cm
Molar Volume: 148.2±3.0 cm3

Click to predict properties on the Chemicalize site






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