ChemSpider 2D Image | 1-(2-Propyn-1-yl)azepane | C9H15N

1-(2-Propyn-1-yl)azepane

  • Molecular FormulaC9H15N
  • Average mass137.222 Da
  • Monoisotopic mass137.120453 Da
  • ChemSpider ID11388972

More details:

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

1-(2-Propin-1-yl)azepan [German] [ACD/IUPAC Name]
1-(2-Propyn-1-yl)azepane [ACD/IUPAC Name]
1-(2-Propyn-1-yl)azépane [French] [ACD/IUPAC Name]
1H-Azepine, hexahydro-1-(2-propyn-1-yl)- [ACD/Index Name]
1-(prop-2-yn-1-yl)azepane
1-(PROP-2-YN-1-YL)AZEPANE|1-(PROP-2-YN-1-YL)AZEPANE
53678-66-3 [RN]
MFCD14631424

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

Density: 0.9±0.1 g/cm3
Boiling Point: 182.6±23.0 °C at 760 mmHg
Vapour Pressure: 0.8±0.3 mmHg at 25°C
Enthalpy of Vaporization: 41.9±3.0 kJ/mol
Flash Point: 56.7±19.5 °C
Index of Refraction: 1.474
Molar Refractivity: 43.0±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.27
ACD/LogD (pH 5.5): -0.14
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.27
ACD/LogD (pH 7.4): 1.51
ACD/BCF (pH 7.4): 6.62
ACD/KOC (pH 7.4): 102.31
Polar Surface Area: 3 Å2
Polarizability: 17.1±0.5 10-24cm3
Surface Tension: 32.9±3.0 dyne/cm
Molar Volume: 153.1±3.0 cm3

Click to predict properties on the Chemicalize site


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