ChemSpider 2D Image | 1-(1,3-Benzodioxol-5-yl)-2-(1-pyrrolidinyl)-1-heptanone | C18H25NO3

1-(1,3-Benzodioxol-5-yl)-2-(1-pyrrolidinyl)-1-heptanone

  • Molecular FormulaC18H25NO3
  • Average mass303.396 Da
  • Monoisotopic mass303.183441 Da
  • ChemSpider ID95753889

More details:

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

1-(1,3-Benzodioxol-5-yl)-2-(1-pyrrolidinyl)-1-heptanon [German] [ACD/IUPAC Name]
1-(1,3-Benzodioxol-5-yl)-2-(1-pyrrolidinyl)-1-heptanone [ACD/IUPAC Name]
1-(1,3-Benzodioxol-5-yl)-2-(1-pyrrolidinyl)-1-heptanone [French] [ACD/IUPAC Name]
1-Heptanone, 1-(1,3-benzodioxol-5-yl)-2-(1-pyrrolidinyl)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.1±0.1 g/cm3
Boiling Point: 439.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 69.7±3.0 kJ/mol
Flash Point: 219.9±28.7 °C
Index of Refraction: 1.550
Molar Refractivity: 85.5±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.12
ACD/LogD (pH 5.5): 0.89
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.95
ACD/LogD (pH 7.4): 2.49
ACD/BCF (pH 7.4): 23.96
ACD/KOC (pH 7.4): 156.84
Polar Surface Area: 39 Å2
Polarizability: 33.9±0.5 10-24cm3
Surface Tension: 44.1±3.0 dyne/cm
Molar Volume: 268.5±3.0 cm3

Click to predict properties on the Chemicalize site


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