ChemSpider 2D Image | MFCD01074118 | C4H4D6O2

MFCD01074118

  • Molecular FormulaC4H4D6O2
  • Average mass96.158 Da
  • Monoisotopic mass96.105743 Da
  • ChemSpider ID24532259

  • Non-standard isotope - Non-standard isotope

More details:

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

(1,1,1,4,4,4-2H6)Butane-2,3-diol
2,3-(1,1,1,4,4,4-2H6)Butandiol [German] [ACD/IUPAC Name]
2,3-(1,1,1,4,4,4-2H6)Butanediol [ACD/IUPAC Name]
2,3-(1,1,1,4,4,4-2H6)Butanediol [French] [ACD/IUPAC Name]
2,3-Butane-1,1,1,4,4,4-d6-diol [ACD/Index Name]
2,3-Butanediol-1,1,1,4,4,4-d6
344750-80-7 [RN]
MFCD01074118
2,3-Butane-1,1,1,4,4,4-d6-diol
2,3-Butylene Glycol
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.0±0.1 g/cm3
Boiling Point: 180.7±0.0 °C at 760 mmHg
Vapour Pressure: 0.3±0.7 mmHg at 25°C
Enthalpy of Vaporization: 48.5±6.0 kJ/mol
Flash Point: 85.0±0.0 °C
Index of Refraction: 1.435
Molar Refractivity: 23.6±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: -0.99
ACD/LogD (pH 5.5): -0.73
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 9.52
ACD/LogD (pH 7.4): -0.73
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 9.52
Polar Surface Area: 40 Å2
Polarizability: 9.3±0.5 10-24cm3
Surface Tension: 34.9±3.0 dyne/cm
Molar Volume: 90.3±3.0 cm3

Click to predict properties on the Chemicalize site


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