ChemSpider 2D Image | (1S,2R)-1,7,7-Trimethylbicyclo[2.2.1]hept-2-yl acetate | C12H20O2

(1S,2R)-1,7,7-Trimethylbicyclo[2.2.1]hept-2-yl acetate

  • Molecular FormulaC12H20O2
  • Average mass196.286 Da
  • Monoisotopic mass196.146332 Da
  • ChemSpider ID35014943

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

(1S,2R)-1,7,7-Trimethylbicyclo[2.2.1]hept-2-yl acetate [ACD/IUPAC Name]
(1S,2R)-1,7,7-Trimethylbicyclo[2.2.1]hept-2-yl-acetat [German] [ACD/IUPAC Name]
Acétate de (1S,2R)-1,7,7-triméthylbicyclo[2.2.1]hept-2-yle [French] [ACD/IUPAC Name]
Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, acetate, (1S,2R)- [ACD/Index Name]
(-)-Bornyl acetate
(1S,2R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl acetate
(1S,2R,4S)-(-)-Bornyl acetate
5655-61-8 [RN]
endo-(1S)-1,7,7-Trimethylbicyclo[2.2.1]hept-2-yl acetate
FEMA 2159
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

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

Density: 1.0±0.1 g/cm3
Boiling Point: 223.5±0.0 °C at 760 mmHg
Vapour Pressure: 0.1±0.4 mmHg at 25°C
Enthalpy of Vaporization: 46.0±3.0 kJ/mol
Flash Point: 84.4±0.0 °C
Index of Refraction: 1.480
Molar Refractivity: 55.3±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.60
ACD/LogD (pH 5.5): 3.51
ACD/BCF (pH 5.5): 273.10
ACD/KOC (pH 5.5): 1929.86
ACD/LogD (pH 7.4): 3.51
ACD/BCF (pH 7.4): 273.10
ACD/KOC (pH 7.4): 1929.86
Polar Surface Area: 26 Å2
Polarizability: 21.9±0.5 10-24cm3
Surface Tension: 32.7±5.0 dyne/cm
Molar Volume: 194.7±5.0 cm3

Click to predict properties on the Chemicalize site


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