ChemSpider 2D Image | (5xi)-Abieta-8(14),9(11),12-trien-18-al | C20H28O

(5ξ)-Abieta-8(14),9(11),12-trien-18-al

  • Molecular FormulaC20H28O
  • Average mass284.436 Da
  • Monoisotopic mass284.214020 Da
  • ChemSpider ID58829773

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

(5ξ)-Abieta-8(14),9(11),12-trien-18-al [German] [ACD/IUPAC Name]
(5ξ)-Abieta-8(14),9(11),12-trien-18-al [ACD/IUPAC Name]
(5ξ)-Abiéta-8(14),9(11),12-trién-18-al [French] [ACD/IUPAC Name]
1-Phenanthrenecarboxaldehyde, 1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-, (1R,4aS)- [ACD/Index Name]
dehydroabietadienal

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

Density: 1.0±0.1 g/cm3
Boiling Point: 378.9±31.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 62.7±3.0 kJ/mol
Flash Point: 136.2±17.4 °C
Index of Refraction: 1.557
Molar Refractivity: 89.6±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 6.48
ACD/LogD (pH 5.5): 5.99
ACD/BCF (pH 5.5): 21032.61
ACD/KOC (pH 5.5): 43242.71
ACD/LogD (pH 7.4): 5.99
ACD/BCF (pH 7.4): 21032.61
ACD/KOC (pH 7.4): 43242.71
Polar Surface Area: 17 Å2
Polarizability: 35.5±0.5 10-24cm3
Surface Tension: 39.8±3.0 dyne/cm
Molar Volume: 278.1±3.0 cm3

Click to predict properties on the Chemicalize site


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