ChemSpider 2D Image | lactonitrile | C3H5NO

lactonitrile

  • Molecular FormulaC3H5NO
  • Average mass71.078 Da
  • Monoisotopic mass71.037117 Da
  • ChemSpider ID21106532

More details:






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

255-852-8 [EINECS]
2-Hydroxypropanenitrile [ACD/IUPAC Name]
2-Hydroxypropanenitrile [French] [ACD/IUPAC Name]
2-Hydroxypropannitril [German] [ACD/IUPAC Name]
lactonitrile
Propanenitrile, 2-hydroxy- [ACD/Index Name]
UNII:SJ38QDA188
[78-97-7]
2-HYDROXYPROPIONITRILE
402-05-1 [RN]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

69830_FLUKA [DBID]
MFCD00004507 [DBID]
MFCD09763577 [DBID]
NSC 7764 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.0±0.1 g/cm3
Boiling Point: 183.4±13.0 °C at 760 mmHg
Vapour Pressure: 0.2±0.8 mmHg at 25°C
Enthalpy of Vaporization: 48.8±6.0 kJ/mol
Flash Point: 64.7±19.8 °C
Index of Refraction: 1.415
Molar Refractivity: 17.4±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: -0.89
ACD/LogD (pH 5.5): -0.48
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 13.02
ACD/LogD (pH 7.4): -0.48
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 13.02
Polar Surface Area: 44 Å2
Polarizability: 6.9±0.5 10-24cm3
Surface Tension: 39.6±3.0 dyne/cm
Molar Volume: 69.3±3.0 cm3

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