ChemSpider 2D Image | 2-Methyl-2-propanyl (2S)-2-ethylhexaneperoxoate | C12H24O3

2-Methyl-2-propanyl (2S)-2-ethylhexaneperoxoate

  • Molecular FormulaC12H24O3
  • Average mass216.317 Da
  • Monoisotopic mass216.172546 Da
  • ChemSpider ID34991884

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-2-Éthylhexaneperoxoate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl (2S)-2-ethylhexaneperoxoate [ACD/IUPAC Name]
2-Methyl-2-propanyl-(2S)-2-ethylhexanperoxoat [German] [ACD/IUPAC Name]
Hexaneperoxoic acid, 2-ethyl-, 1,1-dimethylethyl ester, (2S)- [ACD/Index Name]
221-110-7 [EINECS]
tert-Butyl peroxy-2-ethylhexanoate
UNII-KGA9W7ZS5I

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

Density: 0.9±0.1 g/cm3
Boiling Point: 248.9±23.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 48.6±3.0 kJ/mol
Flash Point: 71.8±16.7 °C
Index of Refraction: 1.429
Molar Refractivity: 61.1±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 4.59
ACD/LogD (pH 5.5): 4.25
ACD/BCF (pH 5.5): 1002.18
ACD/KOC (pH 5.5): 4894.14
ACD/LogD (pH 7.4): 4.25
ACD/BCF (pH 7.4): 1002.18
ACD/KOC (pH 7.4): 4894.14
Polar Surface Area: 36 Å2
Polarizability: 24.2±0.5 10-24cm3
Surface Tension: 28.3±3.0 dyne/cm
Molar Volume: 236.9±3.0 cm3

Click to predict properties on the Chemicalize site


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