ChemSpider 2D Image | (1beta,4abeta,4balpha,7beta,9abeta,10alpha,10aalpha)-1,4a-Dimethyl-8-methylenegibbane-1,10-dicarboxylic acid | C20H28O4

(1β,4aβ,4bα,7β,9aβ,10α,10aα)-1,4a-Dimethyl-8-methylenegibbane-1,10-dicarboxylic acid

  • Molecular FormulaC20H28O4
  • Average mass332.434 Da
  • Monoisotopic mass332.198761 Da
  • ChemSpider ID113600394

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(1β,4aβ,4bα,7β,9aβ,10α,10aα)-1,4a-Dimethyl-8-methylenegibbane-1,10-dicarboxylic acid [ACD/IUPAC Name]
(1β,4aβ,4bα,7β,9aβ,10α,10aα)-1,4a-Dimethyl-8-methylengibban-1,10-dicarbonsäure [German] [ACD/IUPAC Name]
Acide (1β,4aβ,4bα,7β,9aβ,10α,10aα)-1,4a-diméthyl-8-méthylènegibbane-1,10-dicarboxylique [French] [ACD/IUPAC Name]
Gibbane-1,10-dicarboxylic acid, 1,4a-dimethyl-8-methylene-, (1β,4aβ,4bα,7β,9aβ,10α,10aα)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 474.9±38.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 80.9±6.0 kJ/mol
Flash Point: 255.1±23.3 °C
Index of Refraction: 1.576
Molar Refractivity: 89.3±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 4.56
ACD/LogD (pH 5.5): 2.25
ACD/BCF (pH 5.5): 10.81
ACD/KOC (pH 5.5): 56.71
ACD/LogD (pH 7.4): -0.56
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 75 Å2
Polarizability: 35.4±0.5 10-24cm3
Surface Tension: 51.8±5.0 dyne/cm
Molar Volume: 269.8±5.0 cm3

Click to predict properties on the Chemicalize site


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