ChemSpider 2D Image | (1S,4S)-1,7,7-Trimethylbicyclo[2.2.1]hept-2-yl propionate | C13H22O2

(1S,4S)-1,7,7-Trimethylbicyclo[2.2.1]hept-2-yl propionate

  • Molecular FormulaC13H22O2
  • Average mass210.313 Da
  • Monoisotopic mass210.161987 Da
  • ChemSpider ID29272522

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

(1S,4S)-1,7,7-Trimethylbicyclo[2.2.1]hept-2-yl propionate [ACD/IUPAC Name]
(1S,4S)-1,7,7-Trimethylbicyclo[2.2.1]hept-2-ylpropionat [German] [ACD/IUPAC Name]
Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, propanoate, (1S,4S)- [ACD/Index Name]
Propionate de (1S,4S)-1,7,7-triméthylbicyclo[2.2.1]hept-2-yle [French] [ACD/IUPAC Name]
EXO-1,7,7-TRIMETHYLBICYCLO(2.2.1)HEPT-2-YLPROPIONATE
Isobornyl propionate

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

Density: 1.0±0.1 g/cm3
Boiling Point: 237.2±8.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 47.4±3.0 kJ/mol
Flash Point: 99.3±6.0 °C
Index of Refraction: 1.480
Molar Refractivity: 60.0±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.13
ACD/LogD (pH 5.5): 4.13
ACD/BCF (pH 5.5): 815.94
ACD/KOC (pH 5.5): 4224.40
ACD/LogD (pH 7.4): 4.13
ACD/BCF (pH 7.4): 815.94
ACD/KOC (pH 7.4): 4224.40
Polar Surface Area: 26 Å2
Polarizability: 23.8±0.5 10-24cm3
Surface Tension: 32.9±5.0 dyne/cm
Molar Volume: 211.1±5.0 cm3

Click to predict properties on the Chemicalize site


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