ChemSpider 2D Image | 2-Ethyl-2-[hydroxy(~2~H_1_)methyl]-1,3-(~2~H_4_)propanediol | C6H9D5O3

2-Ethyl-2-[hydroxy(2H1)methyl]-1,3-(2H4)propanediol

  • Molecular FormulaC6H9D5O3
  • Average mass139.204 Da
  • Monoisotopic mass139.125671 Da
  • ChemSpider ID48061105
  • 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-ethyl-2-(hydroxymethyl-d)- [ACD/Index Name]
2-Ethyl-2-[hydroxy(2H1)methyl]-1,3-(2H4)propandiol [German] [ACD/IUPAC Name]
2-Ethyl-2-[hydroxy(2H1)methyl]-1,3-(2H4)propanediol [ACD/IUPAC Name]
2-Éthyl-2-[hydroxy(2H1)méthyl]-1,3-(2H4)propanediol [French] [ACD/IUPAC Name]
1,1,3,3-tetradeuterio-2-[deuterio(hydroxy)methyl]-2-ethylpropane-1,3-diol
103782-76-9 [RN]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 295.7±20.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 62.1±6.0 kJ/mol
Flash Point: 147.7±16.4 °C
Index of Refraction: 1.485
Molar Refractivity: 34.4±0.3 cm3
#H bond acceptors: 3
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -0.85
ACD/LogD (pH 5.5): -0.84
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 8.28
ACD/LogD (pH 7.4): -0.84
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 8.28
Polar Surface Area: 61 Å2
Polarizability: 13.6±0.5 10-24cm3
Surface Tension: 47.9±3.0 dyne/cm
Molar Volume: 120.1±3.0 cm3

Click to predict properties on the Chemicalize site






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