ChemSpider 2D Image | 3-(~2~H_3_)Methylbenzaldehyde | C8H5D3O

3-(2H3)Methylbenzaldehyde

  • Molecular FormulaC8H5D3O
  • Average mass123.167 Da
  • Monoisotopic mass123.076347 Da
  • ChemSpider ID64952682
  • Non-standard isotope - Non-standard isotope


More details:






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

3-(2H3)Methylbenzaldehyd [German] [ACD/IUPAC Name]
3-(2H3)Methylbenzaldehyde [ACD/IUPAC Name]
3-(2H3)Méthylbenzaldéhyde [French] [ACD/IUPAC Name]
Benzaldehyde, 3-(methyl-d3)- [ACD/Index Name]
111870-53-2 [RN]
3-(2H3)methylbenzaldehyde
MFCD31692103

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

Density: 1.0±0.1 g/cm3
Boiling Point: 199.0±0.0 °C at 760 mmHg
Vapour Pressure: 0.3±0.3 mmHg at 25°C
Enthalpy of Vaporization: 43.5±3.0 kJ/mol
Flash Point: 78.3±0.0 °C
Index of Refraction: 1.558
Molar Refractivity: 37.8±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.10
ACD/LogD (pH 5.5): 1.99
ACD/BCF (pH 5.5): 19.28
ACD/KOC (pH 5.5): 289.41
ACD/LogD (pH 7.4): 1.99
ACD/BCF (pH 7.4): 19.28
ACD/KOC (pH 7.4): 289.41
Polar Surface Area: 17 Å2
Polarizability: 15.0±0.5 10-24cm3
Surface Tension: 37.3±3.0 dyne/cm
Molar Volume: 117.4±3.0 cm3

Click to predict properties on the Chemicalize site






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