ChemSpider 2D Image | 3-[(~2~H_5_)Ethyloxy]-4-hydroxybenzaldehyde | C9H5D5O3

3-[(2H5)Ethyloxy]-4-hydroxybenzaldehyde

  • Molecular FormulaC9H5D5O3
  • Average mass171.205 Da
  • Monoisotopic mass171.094376 Da
  • ChemSpider ID48059799
  • Non-standard isotope - Non-standard isotope


More details:






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

3-[(2H5)Ethyloxy]-4-hydroxybenzaldehyd [German] [ACD/IUPAC Name]
3-[(2H5)Ethyloxy]-4-hydroxybenzaldehyde [ACD/IUPAC Name]
3-[(2H5)Éthyloxy]-4-hydroxybenzaldéhyde [French] [ACD/IUPAC Name]
Benzaldehyde, 3-(ethyl-d5-oxy)-4-hydroxy- [ACD/Index Name]
1335401-74-5 [RN]
Ethyl-d5 Vanillin

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 295.1±20.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 55.6±3.0 kJ/mol
Flash Point: 119.0±15.3 °C
Index of Refraction: 1.574
Molar Refractivity: 46.2±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.72
ACD/LogD (pH 5.5): 1.59
ACD/BCF (pH 5.5): 9.44
ACD/KOC (pH 5.5): 173.41
ACD/LogD (pH 7.4): 1.47
ACD/BCF (pH 7.4): 7.24
ACD/KOC (pH 7.4): 132.95
Polar Surface Area: 47 Å2
Polarizability: 18.3±0.5 10-24cm3
Surface Tension: 45.5±3.0 dyne/cm
Molar Volume: 140.0±3.0 cm3

Click to predict properties on the Chemicalize site






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