ChemSpider 2D Image | 2-(~2~H_3_)Methyl-1,3-propanediol | C4H7D3O2

2-(2H3)Methyl-1,3-propanediol

  • Molecular FormulaC4H7D3O2
  • Average mass93.140 Da
  • Monoisotopic mass93.086906 Da
  • ChemSpider ID58793698

  • Non-standard isotope - Non-standard isotope

More details:

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

1,3-Propanediol, 2-(methyl-d3)- [ACD/Index Name]
2-(2H3)Methyl-1,3-propandiol [German] [ACD/IUPAC Name]
2-(2H3)Methyl-1,3-propanediol [ACD/IUPAC Name]
2-(2H3)Méthyl-1,3-propanediol [French] [ACD/IUPAC Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 221.2±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 53.2±6.0 kJ/mol
Flash Point: 102.5±13.0 °C
Index of Refraction: 1.438
Molar Refractivity: 23.6±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -0.69
ACD/LogD (pH 5.5): -0.77
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 9.06
ACD/LogD (pH 7.4): -0.77
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 9.06
Polar Surface Area: 40 Å2
Polarizability: 9.4±0.5 10-24cm3
Surface Tension: 37.2±3.0 dyne/cm
Molar Volume: 90.0±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement