ChemSpider 2D Image | (5xi,9beta)-Abieta-7,13-dien-19-oic acid | C20H30O2

(5ξ,9β)-Abieta-7,13-dien-19-oic acid

  • Molecular FormulaC20H30O2
  • Average mass302.451 Da
  • Monoisotopic mass302.224579 Da
  • ChemSpider ID21587202

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

(5ξ,9β)-Abieta-7,13-dien-19-oic acid [ACD/IUPAC Name]
(5ξ,9β)-Abieta-7,13-dien-19-säure [German] [ACD/IUPAC Name]
17817-95-7 [RN]
1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,10,10a-decahydro-1,4a-dimethyl-7-(1-methylethyl)-, (1S,4aR,4bS)- [ACD/Index Name]
Acide (5ξ,9β)-abiéta-7,13-dién-19-oïque [French] [ACD/IUPAC Name]
[514-10-3] [RN]
1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylic acid
514-10-3 [RN]
Abietic acid
MFCD03423567 [MDL number]
  • Experimental Physico-chemical Properties

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

Density: 1.1±0.1 g/cm3
Boiling Point: 439.5±44.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 76.4±6.0 kJ/mol
Flash Point: 208.1±23.1 °C
Index of Refraction: 1.542
Molar Refractivity: 89.5±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 6.51
ACD/LogD (pH 5.5): 5.18
ACD/BCF (pH 5.5): 3056.91
ACD/KOC (pH 5.5): 5963.63
ACD/LogD (pH 7.4): 3.38
ACD/BCF (pH 7.4): 48.13
ACD/KOC (pH 7.4): 93.89
Polar Surface Area: 37 Å2
Polarizability: 35.5±0.5 10-24cm3
Surface Tension: 40.8±5.0 dyne/cm
Molar Volume: 284.6±5.0 cm3

Click to predict properties on the Chemicalize site


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