ChemSpider 2D Image | 2,2-Bis[hydroxy(~2~H_2_)methyl]-1,3-(~2~H_4_)propanediol | C5H4D8O4

2,2-Bis[hydroxy(2H2)methyl]-1,3-(2H4)propanediol

  • Molecular FormulaC5H4D8O4
  • Average mass144.196 Da
  • Monoisotopic mass144.123779 Da
  • ChemSpider ID23976947

  • Non-standard isotope - Non-standard isotope

More details:

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

1,3-Propane-1,1,3,3-d4-diol, 2,2-bis(hydroxymethyl-d2)- [ACD/Index Name]
2,2-Bis[hydroxy(2H2)methyl]-1,3-(2H4)propandiol [German] [ACD/IUPAC Name]
2,2-Bis[hydroxy(2H2)methyl]-1,3-(2H4)propanediol [ACD/IUPAC Name]
2,2-Bis[hydroxy(2H2)méthyl]-1,3-(2H4)propanediol [French] [ACD/IUPAC Name]
1,1,3,3-tetradeuterio-2,2-bis[dideuterio(hydroxy)methyl]propane-1,3-diol
2,2-Bis[hydroxy(2H2)methyl](2H4)propane-1,3-diol
82414-60-6 [RN]
PENTAERYTHRITOL-D8

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

Density: 1.3±0.1 g/cm3
Boiling Point: 380.4±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 72.7±6.0 kJ/mol
Flash Point: 200.1±21.1 °C
Index of Refraction: 1.532
Molar Refractivity: 31.3±0.3 cm3
#H bond acceptors: 4
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -2.36
ACD/LogD (pH 5.5): -1.80
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.49
ACD/LogD (pH 7.4): -1.80
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.49
Polar Surface Area: 81 Å2
Polarizability: 12.4±0.5 10-24cm3
Surface Tension: 70.5±3.0 dyne/cm
Molar Volume: 101.1±3.0 cm3

Click to predict properties on the Chemicalize site


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