ChemSpider 2D Image | (2S)-1,1-Bis(methylperoxy)-2-propanol | C5H12O5

(2S)-1,1-Bis(methylperoxy)-2-propanol

  • Molecular FormulaC5H12O5
  • Average mass152.146 Da
  • Monoisotopic mass152.068466 Da
  • ChemSpider ID68899478

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-1,1-Bis(methylperoxy)-2-propanol [German] [ACD/IUPAC Name]
(2S)-1,1-Bis(methylperoxy)-2-propanol [ACD/IUPAC Name]
(2S)-1,1-Bis(méthylperoxy)-2-propanol [French] [ACD/IUPAC Name]
2-Propanol, 1,1-bis(methyldioxy)-, (2S)- [ACD/Index Name]
96503-29-6 [RN]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 154.6±35.0 °C at 760 mmHg
Vapour Pressure: 1.2±0.6 mmHg at 25°C
Enthalpy of Vaporization: 45.6±6.0 kJ/mol
Flash Point: 47.3±25.9 °C
Index of Refraction: 1.414
Molar Refractivity: 33.6±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.78
ACD/LogD (pH 5.5): 1.54
ACD/BCF (pH 5.5): 8.78
ACD/KOC (pH 5.5): 164.78
ACD/LogD (pH 7.4): 1.54
ACD/BCF (pH 7.4): 8.78
ACD/KOC (pH 7.4): 164.78
Polar Surface Area: 57 Å2
Polarizability: 13.3±0.5 10-24cm3
Surface Tension: 32.3±3.0 dyne/cm
Molar Volume: 134.8±3.0 cm3

Click to predict properties on the Chemicalize site


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