ChemSpider 2D Image | 3-(~2~H_3_)Methyl-1,3,5-pentanetriol | C6H11D3O3

3-(2H3)Methyl-1,3,5-pentanetriol

  • Molecular FormulaC6H11D3O3
  • Average mass137.192 Da
  • Monoisotopic mass137.113129 Da
  • ChemSpider ID57619158

  • Non-standard isotope - Non-standard isotope

More details:

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

1,3,5-Pentanetriol, 3-(methyl-d3)- [ACD/Index Name]
3-(2H3)Methyl-1,3,5-pentanetriol [ACD/IUPAC Name]
3-(2H3)Méthyl-1,3,5-pentanetriol [French] [ACD/IUPAC Name]
3-(2H3)Methyl-1,3,5-pentantriol [German] [ACD/IUPAC Name]
3-[2H3]methylpentane-1,3,5-triol
305838-12-4 [RN]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 314.8±22.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 64.5±6.0 kJ/mol
Flash Point: 159.4±16.9 °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: -1.32
ACD/LogD (pH 5.5): -0.91
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 7.64
ACD/LogD (pH 7.4): -0.91
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 7.64
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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