ChemSpider 2D Image | 2-Butyl-2-(~2~H_5_)ethyl-1,3-propanediol | C9H15D5O2

2-Butyl-2-(2H5)ethyl-1,3-propanediol

  • Molecular FormulaC9H15D5O2
  • Average mass165.285 Da
  • Monoisotopic mass165.177719 Da
  • ChemSpider ID58779302

  • Non-standard isotope - Non-standard isotope

More details:

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

1,3-Propanediol, 2-butyl-2-(ethyl-d5)- [ACD/Index Name]
2-Butyl-2-(2H5)ethyl-1,3-propandiol [German] [ACD/IUPAC Name]
2-Butyl-2-(2H5)ethyl-1,3-propanediol [ACD/IUPAC Name]
2-Butyl-2-(2H5)éthyl-1,3-propanediol [French] [ACD/IUPAC Name]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 262.0±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 58.0±6.0 kJ/mol
Flash Point: 110.8±13.0 °C
Index of Refraction: 1.456
Molar Refractivity: 46.8±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.78
ACD/LogD (pH 5.5): 1.97
ACD/BCF (pH 5.5): 18.60
ACD/KOC (pH 5.5): 282.03
ACD/LogD (pH 7.4): 1.97
ACD/BCF (pH 7.4): 18.60
ACD/KOC (pH 7.4): 282.03
Polar Surface Area: 40 Å2
Polarizability: 18.5±0.5 10-24cm3
Surface Tension: 35.0±3.0 dyne/cm
Molar Volume: 172.2±3.0 cm3

Click to predict properties on the Chemicalize site


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