ChemSpider 2D Image | 1-(3,5-Dimethoxyphenyl)-3-(4,4,5,5,5-~2~H_5_)pentanol | C13H15D5O3

1-(3,5-Dimethoxyphenyl)-3-(4,4,5,5,5-2H5)pentanol

  • Molecular FormulaC13H15D5O3
  • Average mass229.327 Da
  • Monoisotopic mass229.172623 Da
  • ChemSpider ID9086615

  • Non-standard isotope - Non-standard isotope

More details:

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

1-(3,5-Dimethoxyphenyl)-3-(4,4,5,5,5-2H5)pentanol [ACD/IUPAC Name]
1-(3,5-Dimethoxyphenyl)-3-(4,4,5,5,5-2H5)pentanol [German] [ACD/IUPAC Name]
1-(3,5-Diméthoxyphényl)-3-(4,4,5,5,5-2H5)pentanol [French] [ACD/IUPAC Name]
Benzenepropanol, α-(ethyl-d5)-3,5-dimethoxy- [ACD/Index 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: 352.5±27.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 63.0±3.0 kJ/mol
Flash Point: 167.0±23.7 °C
Index of Refraction: 1.505
Molar Refractivity: 64.6±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.47
ACD/LogD (pH 5.5): 2.52
ACD/BCF (pH 5.5): 48.69
ACD/KOC (pH 5.5): 561.71
ACD/LogD (pH 7.4): 2.52
ACD/BCF (pH 7.4): 48.69
ACD/KOC (pH 7.4): 561.71
Polar Surface Area: 39 Å2
Polarizability: 25.6±0.5 10-24cm3
Surface Tension: 35.3±3.0 dyne/cm
Molar Volume: 217.7±3.0 cm3

Click to predict properties on the Chemicalize site


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