ChemSpider 2D Image | 3-(2-Propyn-1-yl)-1H-pyrrole | C7H7N

3-(2-Propyn-1-yl)-1H-pyrrole

  • Molecular FormulaC7H7N
  • Average mass105.137 Da
  • Monoisotopic mass105.057846 Da
  • ChemSpider ID32989870

More details:

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

1H-Pyrrole, 3-(2-propyn-1-yl)- [ACD/Index Name]
3-(2-Propin-1-yl)-1H-pyrrol [German] [ACD/IUPAC Name]
3-(2-Propyn-1-yl)-1H-pyrrole [ACD/IUPAC Name]
3-(2-Propyn-1-yl)-1H-pyrrole [French] [ACD/IUPAC Name]
3-(prop-2-yn-1-yl)-1H-pyrrole
477331-69-4 [RN]
MFCD19225657

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

Density: 1.0±0.1 g/cm3
Boiling Point: 174.1±15.0 °C at 760 mmHg
Vapour Pressure: 1.6±0.3 mmHg at 25°C
Enthalpy of Vaporization: 39.4±3.0 kJ/mol
Flash Point: 59.1±13.0 °C
Index of Refraction: 1.562
Molar Refractivity: 32.7±0.3 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.18
ACD/LogD (pH 5.5): 1.73
ACD/BCF (pH 5.5): 12.16
ACD/KOC (pH 5.5): 208.05
ACD/LogD (pH 7.4): 1.73
ACD/BCF (pH 7.4): 12.16
ACD/KOC (pH 7.4): 208.05
Polar Surface Area: 16 Å2
Polarizability: 13.0±0.5 10-24cm3
Surface Tension: 45.7±3.0 dyne/cm
Molar Volume: 100.8±3.0 cm3

Click to predict properties on the Chemicalize site


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