ChemSpider 2D Image | (3S)-3-Isopropyl-2,2-dimethyloxirane | C7H14O

(3S)-3-Isopropyl-2,2-dimethyloxirane

  • Molecular FormulaC7H14O
  • Average mass114.186 Da
  • Monoisotopic mass114.104462 Da
  • ChemSpider ID28412059
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(3S)-3-Isopropyl-2,2-dimethyloxiran [German] [ACD/IUPAC Name]
(3S)-3-Isopropyl-2,2-dimethyloxirane [ACD/IUPAC Name]
(3S)-3-Isopropyl-2,2-diméthyloxirane [French] [ACD/IUPAC Name]
Oxirane, 2,2-dimethyl-3-(1-methylethyl)-, (3S)- [ACD/Index Name]

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

Density: 0.8±0.1 g/cm3
Boiling Point: 103.6±8.0 °C at 760 mmHg
Vapour Pressure: 37.1±0.2 mmHg at 25°C
Enthalpy of Vaporization: 32.8±3.0 kJ/mol
Flash Point: 13.0±15.3 °C
Index of Refraction: 1.419
Molar Refractivity: 34.0±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.60
ACD/LogD (pH 5.5): 1.76
ACD/BCF (pH 5.5): 12.91
ACD/KOC (pH 5.5): 217.13
ACD/LogD (pH 7.4): 1.76
ACD/BCF (pH 7.4): 12.91
ACD/KOC (pH 7.4): 217.13
Polar Surface Area: 13 Å2
Polarizability: 13.5±0.5 10-24cm3
Surface Tension: 22.4±3.0 dyne/cm
Molar Volume: 134.8±3.0 cm3

Click to predict properties on the Chemicalize site






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