ChemSpider 2D Image | (1Z)-1-Hydroperoxy-1-propene-1,2-diol | C3H6O4

(1Z)-1-Hydroperoxy-1-propene-1,2-diol

  • Molecular FormulaC3H6O4
  • Average mass106.077 Da
  • Monoisotopic mass106.026611 Da
  • ChemSpider ID95656062
  • Double-bond stereo - Double-bond stereo


More details:






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

(1Z)-1-Hydroperoxy-1-propen-1,2-diol [German] [ACD/IUPAC Name]
(1Z)-1-Hydroperoxy-1-propene-1,2-diol [ACD/IUPAC Name]
(1Z)-1-Hydroperoxy-1-propène-1,2-diol [French] [ACD/IUPAC Name]
1-Propene-1,2-diol, 1-hydroperoxy-, (1Z)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 291.2±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 61.6±6.0 kJ/mol
Flash Point: 129.9±27.3 °C
Index of Refraction: 1.541
Molar Refractivity: 22.0±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 0.73
ACD/LogD (pH 5.5): 0.28
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 33.87
ACD/LogD (pH 7.4): 0.28
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 33.85
Polar Surface Area: 70 Å2
Polarizability: 8.7±0.5 10-24cm3
Surface Tension: 67.3±3.0 dyne/cm
Molar Volume: 70.2±3.0 cm3

Click to predict properties on the Chemicalize site






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