ChemSpider 2D Image | Abieta-8(14),9(11),12-trien-19-oic acid | C20H28O2

Abieta-8(14),9(11),12-trien-19-oic acid

  • Molecular FormulaC20H28O2
  • Average mass300.435 Da
  • Monoisotopic mass300.208923 Da
  • ChemSpider ID68727289

  • defined stereocentres - 1 of 3 defined stereocentres

More details:

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

1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-, (1S)- [ACD/Index Name]
Abieta-8(14),9(11),12-trien-19-oic acid [ACD/IUPAC Name]
Abieta-8(14),9(11),12-trien-19-säure [German] [ACD/IUPAC Name]
Acide abiéta-8(14),9(11),12-trién-19-oïque [French] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 425.1±34.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.7±3.0 kJ/mol
Flash Point: 202.5±20.3 °C
Index of Refraction: 1.540
Molar Refractivity: 89.1±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 6.35
ACD/LogD (pH 5.5): 5.02
ACD/BCF (pH 5.5): 2347.04
ACD/KOC (pH 5.5): 4996.17
ACD/LogD (pH 7.4): 3.22
ACD/BCF (pH 7.4): 37.01
ACD/KOC (pH 7.4): 78.78
Polar Surface Area: 37 Å2
Polarizability: 35.3±0.5 10-24cm3
Surface Tension: 39.8±3.0 dyne/cm
Molar Volume: 283.7±3.0 cm3

Click to predict properties on the Chemicalize site


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