ChemSpider 2D Image | 2-[(1S)-1,5,5-Trimethyl-2-cyclopenten-1-yl]ethyl acetate | C12H20O2

2-[(1S)-1,5,5-Trimethyl-2-cyclopenten-1-yl]ethyl acetate

  • Molecular FormulaC12H20O2
  • Average mass196.286 Da
  • Monoisotopic mass196.146332 Da
  • ChemSpider ID34485702
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

2-[(1S)-1,5,5-Trimethyl-2-cyclopenten-1-yl]ethyl acetate [ACD/IUPAC Name]
2-[(1S)-1,5,5-Trimethyl-2-cyclopenten-1-yl]ethyl-acetat [German] [ACD/IUPAC Name]
2-Cyclopentene-1-ethanol, 1,5,5-trimethyl-, acetate, (1S)- [ACD/Index Name]
Acétate de 2-[(1S)-1,5,5-triméthyl-2-cyclopentén-1-yl]éthyle [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 0.9±0.1 g/cm3
Boiling Point: 224.8±9.0 °C at 760 mmHg
Vapour Pressure: 0.1±0.4 mmHg at 25°C
Enthalpy of Vaporization: 46.1±3.0 kJ/mol
Flash Point: 72.3±17.1 °C
Index of Refraction: 1.448
Molar Refractivity: 57.0±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.89
ACD/LogD (pH 5.5): 3.35
ACD/BCF (pH 5.5): 206.29
ACD/KOC (pH 5.5): 1578.74
ACD/LogD (pH 7.4): 3.35
ACD/BCF (pH 7.4): 206.29
ACD/KOC (pH 7.4): 1578.74
Polar Surface Area: 26 Å2
Polarizability: 22.6±0.5 10-24cm3
Surface Tension: 32.1±3.0 dyne/cm
Molar Volume: 212.9±3.0 cm3

Click to predict properties on the Chemicalize site






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