ChemSpider 2D Image | 2,2-Bis(3-methylbutyl)-1,3-propanediol | C13H28O2

2,2-Bis(3-methylbutyl)-1,3-propanediol

  • Molecular FormulaC13H28O2
  • Average mass216.360 Da
  • Monoisotopic mass216.208923 Da
  • ChemSpider ID24589786

More details:

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

1,3-Propanediol, 2,2-bis(3-methylbutyl)- [ACD/Index Name]
2,2-Bis(3-methylbutyl)-1,3-propandiol [German] [ACD/IUPAC Name]
2,2-Bis(3-methylbutyl)-1,3-propanediol [ACD/IUPAC Name]
2,2-Bis(3-méthylbutyl)-1,3-propanediol [French] [ACD/IUPAC Name]
2,2-Bis(3-methylbutyl)propane-1,3-diol
403519-64-2 [RN]
[403519-64-2] [RN]
2,2-Diisoamyl-1,3-propanediol
2,2-Diisopentylpropane-1,3-diol
MFCD03701099

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

Density: 0.9±0.1 g/cm3
Boiling Point: 273.9±8.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 59.5±6.0 kJ/mol
Flash Point: 112.0±13.0 °C
Index of Refraction: 1.458
Molar Refractivity: 65.2±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 3.54
ACD/LogD (pH 5.5): 3.17
ACD/BCF (pH 5.5): 150.62
ACD/KOC (pH 5.5): 1260.45
ACD/LogD (pH 7.4): 3.17
ACD/BCF (pH 7.4): 150.62
ACD/KOC (pH 7.4): 1260.45
Polar Surface Area: 40 Å2
Polarizability: 25.9±0.5 10-24cm3
Surface Tension: 33.0±3.0 dyne/cm
Molar Volume: 238.9±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement