ChemSpider 2D Image | 1-Methyl-1H-pyrrole-2-(~2~H)carbaldehyde | C6H6DNO

1-Methyl-1H-pyrrole-2-(2H)carbaldehyde

  • Molecular FormulaC6H6DNO
  • Average mass110.132 Da
  • Monoisotopic mass110.059044 Da
  • ChemSpider ID74811333

  • Non-standard isotope - Non-standard isotope

More details:

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

1H-Pyrrole-2-carboxaldehyde-d, 1-methyl- [ACD/Index Name]
1-Methyl-1H-pyrrol-2-(2H)carbaldehyd [German] [ACD/IUPAC Name]
1-Methyl-1H-pyrrole-2-(2H)carbaldehyde [ACD/IUPAC Name]
1-Méthyl-1H-pyrrole-2-(2H)carbaldéhyde [French] [ACD/IUPAC 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: 195.5±13.0 °C at 760 mmHg
Vapour Pressure: 0.4±0.4 mmHg at 25°C
Enthalpy of Vaporization: 43.2±3.0 kJ/mol
Flash Point: 72.2±0.0 °C
Index of Refraction: 1.513
Molar Refractivity: 32.3±0.5 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 0.26
ACD/LogD (pH 5.5): 0.68
ACD/BCF (pH 5.5): 1.92
ACD/KOC (pH 5.5): 55.47
ACD/LogD (pH 7.4): 0.68
ACD/BCF (pH 7.4): 1.92
ACD/KOC (pH 7.4): 55.47
Polar Surface Area: 22 Å2
Polarizability: 12.8±0.5 10-24cm3
Surface Tension: 36.2±7.0 dyne/cm
Molar Volume: 107.4±7.0 cm3

Click to predict properties on the Chemicalize site


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