ChemSpider 2D Image | MFCD00002969 | C4H6D4O2

MFCD00002969

  • Molecular FormulaC4H6D4O2
  • Average mass94.146 Da
  • Monoisotopic mass94.093185 Da
  • ChemSpider ID21171086

  • Non-standard isotope - Non-standard isotope

More details:

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

(2,2,3,3-2H4)Butane-1,4-diol
1,4-(2,2,3,3-2H4)Butandiol [German] [ACD/IUPAC Name]
1,4-(2,2,3,3-2H4)Butanediol [ACD/IUPAC Name]
1,4-(2,2,3,3-2H4)Butanediol [French] [ACD/IUPAC Name]
1,4-Butane-2,2,3,3-d4-diol [ACD/Index Name]
1,4-Butanediol-2,2,3,3-d4
38274-25-8 [RN]
MFCD00002969
1,4-Butane-2,2,3,3-d4-diol
1,4-butylene glycol
More...

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

269557_ALDRICH [DBID]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 228.0±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 54.0±6.0 kJ/mol
Flash Point: 105.9±13.0 °C
Index of Refraction: 1.441
Molar Refractivity: 23.6±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -1.02
ACD/LogD (pH 5.5): -0.85
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 8.24
ACD/LogD (pH 7.4): -0.85
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 8.24
Polar Surface Area: 40 Å2
Polarizability: 9.4±0.5 10-24cm3
Surface Tension: 39.6±3.0 dyne/cm
Molar Volume: 89.6±3.0 cm3

Click to predict properties on the Chemicalize site


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