ChemSpider 2D Image | 2-Propyn-1-yl cyanate | C4H3NO

2-Propyn-1-yl cyanate

  • Molecular FormulaC4H3NO
  • Average mass81.073 Da
  • Monoisotopic mass81.021461 Da
  • ChemSpider ID74034277

More details:

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

2-Propin-1-ylcyanat [German] [ACD/IUPAC Name]
2-Propyn-1-yl cyanate [ACD/IUPAC Name]
Cyanate de 2-propyn-1-yle [French] [ACD/IUPAC Name]
Cyanic acid, 2-propyn-1-yl ester [ACD/Index 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: 90.7±42.0 °C at 760 mmHg
Vapour Pressure: 55.5±0.2 mmHg at 25°C
Enthalpy of Vaporization: 33.1±3.0 kJ/mol
Flash Point: 21.9±20.7 °C
Index of Refraction: 1.428
Molar Refractivity: 20.1±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.50
ACD/LogD (pH 5.5): 0.52
ACD/BCF (pH 5.5): 1.47
ACD/KOC (pH 5.5): 45.79
ACD/LogD (pH 7.4): 0.52
ACD/BCF (pH 7.4): 1.47
ACD/KOC (pH 7.4): 45.79
Polar Surface Area: 33 Å2
Polarizability: 8.0±0.5 10-24cm3
Surface Tension: 41.6±3.0 dyne/cm
Molar Volume: 78.1±3.0 cm3

Click to predict properties on the Chemicalize site


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