ChemSpider 2D Image | 3-Methyl-1-[4-(~2~H_1_)methyl-1-(4-methylphenyl)-1H-pyrrol-3-yl]-2-butanone | C17H20DNO

3-Methyl-1-[4-(2H1)methyl-1-(4-methylphenyl)-1H-pyrrol-3-yl]-2-butanone

  • Molecular FormulaC17H20DNO
  • Average mass256.361 Da
  • Monoisotopic mass256.168579 Da
  • ChemSpider ID9251218

  • Non-standard isotope - Non-standard isotope

More details:

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

2-Butanone, 3-methyl-1-[4-(methyl-d)-1-(4-methylphenyl)-1H-pyrrol-3-yl]- [ACD/Index Name]
3-Methyl-1-[4-(2H1)methyl-1-(4-methylphenyl)-1H-pyrrol-3-yl]-2-butanon [German] [ACD/IUPAC Name]
3-Methyl-1-[4-(2H1)methyl-1-(4-methylphenyl)-1H-pyrrol-3-yl]-2-butanone [ACD/IUPAC Name]
3-Méthyl-1-[4-(2H1)méthyl-1-(4-méthylphényl)-1H-pyrrol-3-yl]-2-butanone [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: 379.8±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 62.8±3.0 kJ/mol
Flash Point: 183.5±24.6 °C
Index of Refraction: 1.542
Molar Refractivity: 79.9±0.5 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.10
ACD/LogD (pH 5.5): 4.27
ACD/BCF (pH 5.5): 1035.39
ACD/KOC (pH 5.5): 5009.69
ACD/LogD (pH 7.4): 4.27
ACD/BCF (pH 7.4): 1035.39
ACD/KOC (pH 7.4): 5009.69
Polar Surface Area: 22 Å2
Polarizability: 31.7±0.5 10-24cm3
Surface Tension: 33.5±7.0 dyne/cm
Molar Volume: 253.9±7.0 cm3

Click to predict properties on the Chemicalize site


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