ChemSpider 2D Image | Cedryl acetate | C17H28O2

Cedryl acetate

  • Molecular FormulaC17H28O2
  • Average mass264.403 Da
  • Monoisotopic mass264.208923 Da
  • ChemSpider ID28296015

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(1β,2α,7β)-Cedran-2-yl acetate [ACD/IUPAC Name]
(1β,2α,7β)-Cedran-2-yl-acetat [German] [ACD/IUPAC Name]
1H-3a,7-Methanoazulen-3-ol, octahydro-3,6,8,8-tetramethyl-, acetate, (3R,3aS,6R,7R,8aS)- [ACD/Index Name]
77-54-3 [RN]
Acétate de (1β,2α,7β)-cédran-2-yle [French] [ACD/IUPAC Name]
Cedryl acetate
[77-54-3] [RN]
1544136-27-7 [RN]
Cedrylacetate
MFCD00077764 [MDL number]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 291.7±8.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 53.1±3.0 kJ/mol
Flash Point: 137.0±6.0 °C
Index of Refraction: 1.503
Molar Refractivity: 76.4±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 5.67
ACD/LogD (pH 5.5): 5.33
ACD/BCF (pH 5.5): 6631.12
ACD/KOC (pH 5.5): 18927.07
ACD/LogD (pH 7.4): 5.33
ACD/BCF (pH 7.4): 6631.12
ACD/KOC (pH 7.4): 18927.07
Polar Surface Area: 26 Å2
Polarizability: 30.3±0.5 10-24cm3
Surface Tension: 35.4±5.0 dyne/cm
Molar Volume: 258.6±5.0 cm3

Click to predict properties on the Chemicalize site


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