ChemSpider 2D Image | 3,4-Bis[(~2~H)hydroxy]-1,2-cyclobutanedione | C4H2D2O4

3,4-Bis[(2H)hydroxy]-1,2-cyclobutanedione

  • Molecular FormulaC4H2D2O4
  • Average mass118.085 Da
  • Monoisotopic mass118.023514 Da
  • ChemSpider ID57542750

  • Non-standard isotope - Non-standard isotope

More details:

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

1,2-Cyclobutanedione, 3,4-di(hydroxy-d)- [ACD/Index Name]
3,4-Bis[(2H)hydroxy]-1,2-cyclobutandion [German] [ACD/IUPAC Name]
3,4-Bis[(2H)hydroxy]-1,2-cyclobutanedione [ACD/IUPAC Name]
3,4-Bis[(2H)hydroxy]-1,2-cyclobutanedione [French] [ACD/IUPAC Name]
3,4-Bis[(2H)hydroxy]cyclobutane-1,2-dione
31150-56-8 [RN]

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

Density: 2.0±0.1 g/cm3
Boiling Point: 306.2±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 63.4±6.0 kJ/mol
Flash Point: 153.2±24.4 °C
Index of Refraction: 1.680
Molar Refractivity: 21.9±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: -1.95
ACD/LogD (pH 5.5): -1.53
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.49
ACD/LogD (pH 7.4): -1.53
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.48
Polar Surface Area: 75 Å2
Polarizability: 8.7±0.5 10-24cm3
Surface Tension: 144.3±3.0 dyne/cm
Molar Volume: 57.9±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement