ChemSpider 2D Image | 2-(3,5-Dimethoxybenzyl)-1,3-propanediol | C12H18O4

2-(3,5-Dimethoxybenzyl)-1,3-propanediol

  • Molecular FormulaC12H18O4
  • Average mass226.269 Da
  • Monoisotopic mass226.120514 Da
  • ChemSpider ID57595275

More details:

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

1,3-Propanediol, 2-[(3,5-dimethoxyphenyl)methyl]- [ACD/Index Name]
2-(3,5-Dimethoxybenzyl)-1,3-propandiol [German] [ACD/IUPAC Name]
2-(3,5-Dimethoxybenzyl)-1,3-propanediol [ACD/IUPAC Name]
2-(3,5-Diméthoxybenzyl)-1,3-propanediol [French] [ACD/IUPAC Name]
2-[(3,5-dimethoxyphenyl)methyl]propane-1,3-diol
67194-88-1 [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: 404.7±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 69.2±3.0 kJ/mol
Flash Point: 198.6±27.3 °C
Index of Refraction: 1.531
Molar Refractivity: 61.5±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 0.70
ACD/LogD (pH 5.5): 0.95
ACD/BCF (pH 5.5): 3.09
ACD/KOC (pH 5.5): 78.10
ACD/LogD (pH 7.4): 0.95
ACD/BCF (pH 7.4): 3.09
ACD/KOC (pH 7.4): 78.10
Polar Surface Area: 59 Å2
Polarizability: 24.4±0.5 10-24cm3
Surface Tension: 42.6±3.0 dyne/cm
Molar Volume: 198.7±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement