ChemSpider 2D Image | 4-Iodo-1-pentene-1,1,5-triol | C5H9IO3

4-Iodo-1-pentene-1,1,5-triol

  • Molecular FormulaC5H9IO3
  • Average mass244.028 Da
  • Monoisotopic mass243.959625 Da
  • ChemSpider ID95609051

More details:

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

1-Pentene-1,1,5-triol, 4-iodo- [ACD/Index Name]
4-Iod-1-penten-1,1,5-triol [German] [ACD/IUPAC Name]
4-Iodo-1-pentene-1,1,5-triol [ACD/IUPAC Name]
4-Iodo-1-pentène-1,1,5-triol [French] [ACD/IUPAC Name]

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

Density: 2.1±0.1 g/cm3
Boiling Point: 390.9±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 74.1±6.0 kJ/mol
Flash Point: 190.2±27.9 °C
Index of Refraction: 1.655
Molar Refractivity: 42.6±0.3 cm3
#H bond acceptors: 3
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.85
ACD/LogD (pH 5.5): -0.48
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 13.13
ACD/LogD (pH 7.4): -0.48
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 13.06
Polar Surface Area: 61 Å2
Polarizability: 16.9±0.5 10-24cm3
Surface Tension: 69.9±3.0 dyne/cm
Molar Volume: 116.2±3.0 cm3

Click to predict properties on the Chemicalize site


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