ChemSpider 2D Image | 2-Propyn-1-yl nitrate | C3H3NO3

2-Propyn-1-yl nitrate

  • Molecular FormulaC3H3NO3
  • Average mass101.061 Da
  • Monoisotopic mass101.011292 Da
  • ChemSpider ID30770460

More details:

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

2-Propin-1-ylnitrat [German] [ACD/IUPAC Name]
2-Propyn-1-ol, nitrate [ACD/Index Name]
2-Propyn-1-yl nitrate [ACD/IUPAC Name]
Nitrate de 2-propyn-1-yle [French] [ACD/IUPAC Name]
58246-17-6 [RN]
MFCD28014249
prop-2-yn-1-yl nitrate
prop-2-ynyl nitrate

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

Density: 1.2±0.1 g/cm3
Boiling Point: 123.5±23.0 °C at 760 mmHg
Vapour Pressure: 16.0±0.2 mmHg at 25°C
Enthalpy of Vaporization: 34.7±3.0 kJ/mol
Flash Point: 59.9±24.6 °C
Index of Refraction: 1.445
Molar Refractivity: 21.5±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.00
ACD/LogD (pH 5.5): 1.18
ACD/BCF (pH 5.5): 4.68
ACD/KOC (pH 5.5): 104.97
ACD/LogD (pH 7.4): 1.18
ACD/BCF (pH 7.4): 4.68
ACD/KOC (pH 7.4): 104.97
Polar Surface Area: 55 Å2
Polarizability: 8.5±0.5 10-24cm3
Surface Tension: 44.2±3.0 dyne/cm
Molar Volume: 81.0±3.0 cm3

Click to predict properties on the Chemicalize site


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