ChemSpider 2D Image | (3beta)-Urs-12-en-3-yl hexanoate | C36H60O2

(3β)-Urs-12-en-3-yl hexanoate

  • Molecular FormulaC36H60O2
  • Average mass524.860 Da
  • Monoisotopic mass524.459351 Da
  • ChemSpider ID58922634

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(3β)-Urs-12-en-3-yl hexanoate [ACD/IUPAC Name]
(3β)-Urs-12-en-3-yl-hexanoat [German] [ACD/IUPAC Name]
Hexanoate de (3β)-urs-12-én-3-yle [French] [ACD/IUPAC Name]
Hexanoic acid, (3β)-urs-12-en-3-yl ester [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 555.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.7±3.0 kJ/mol
Flash Point: 287.9±17.7 °C
Index of Refraction: 1.523
Molar Refractivity: 160.0±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 14.03
ACD/LogD (pH 5.5): 12.94
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 12.94
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 26 Å2
Polarizability: 63.4±0.5 10-24cm3
Surface Tension: 38.4±5.0 dyne/cm
Molar Volume: 523.7±5.0 cm3

Click to predict properties on the Chemicalize site


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