ChemSpider 2D Image | (3E)-3-(Hydroxymethylene)-1,4-cyclopentadien-1-(~2~H)ol | C6H5DO2

(3E)-3-(Hydroxymethylene)-1,4-cyclopentadien-1-(2H)ol

  • Molecular FormulaC6H5DO2
  • Average mass111.117 Da
  • Monoisotopic mass111.043053 Da
  • ChemSpider ID74020645

  • Double-bond stereo - Double-bond stereo

    Non-standard isotope - Non-standard isotope

More details:

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

(3E)-3-(Hydroxymethylen)-1,4-cyclopentadien-1-(2H)ol [German] [ACD/IUPAC Name]
(3E)-3-(Hydroxymethylene)-1,4-cyclopentadien-1-(2H)ol [ACD/IUPAC Name]
(3E)-3-(Hydroxyméthylène)-1,4-cyclopentadién-1-(2H)ol [French] [ACD/IUPAC Name]
1,4-Cyclopentadien-1-ol-d, 3-(hydroxymethylene)-, (3E)- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 229.7±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 54.2±6.0 kJ/mol
Flash Point: 112.7±21.9 °C
Index of Refraction: 1.891
Molar Refractivity: 31.6±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: -0.10
ACD/LogD (pH 5.5): -0.35
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 15.36
ACD/LogD (pH 7.4): -0.35
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 15.35
Polar Surface Area: 40 Å2
Polarizability: 12.5±0.5 10-24cm3
Surface Tension: 127.3±3.0 dyne/cm
Molar Volume: 68.5±3.0 cm3

Click to predict properties on the Chemicalize site


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