ChemSpider 2D Image | (3beta)-Cholesta-7,14-dien-3-yl benzoate | C34H48O2

(3β)-Cholesta-7,14-dien-3-yl benzoate

  • Molecular FormulaC34H48O2
  • Average mass488.744 Da
  • Monoisotopic mass488.365417 Da
  • ChemSpider ID22871964

  • defined stereocentres - 6 of 7 defined stereocentres

More details:

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

(3β)-Cholesta-7,14-dien-3-yl benzoate [ACD/IUPAC Name]
(3β)-Cholesta-7,14-dien-3-yl-benzoat [German] [ACD/IUPAC Name]
Benzoate de (3β)-cholesta-7,14-dién-3-yle [French] [ACD/IUPAC Name]
Cholesta-7,14-dien-3-ol, benzoate, (3β)- [ACD/Index Name]
20748-22-5 [RN]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 580.6±49.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.8±3.0 kJ/mol
Flash Point: 259.6±16.0 °C
Index of Refraction: 1.557
Molar Refractivity: 149.3±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 12.26
ACD/LogD (pH 5.5): 9.99
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 6488072.00
ACD/LogD (pH 7.4): 9.99
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 6488072.00
Polar Surface Area: 26 Å2
Polarizability: 59.2±0.5 10-24cm3
Surface Tension: 42.0±5.0 dyne/cm
Molar Volume: 464.1±5.0 cm3

Click to predict properties on the Chemicalize site


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