ChemSpider 2D Image | (S)-lactonitrile | C3H5NO

(S)-lactonitrile

  • Molecular FormulaC3H5NO
  • Average mass71.078 Da
  • Monoisotopic mass71.037117 Da
  • ChemSpider ID24807374

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-2-Hydroxypropanenitrile [ACD/IUPAC Name]
(2S)-2-Hydroxypropanenitrile [French] [ACD/IUPAC Name]
(2S)-2-Hydroxypropannitril [German] [ACD/IUPAC Name]
(S)-lactonitrile
Propanenitrile, 2-hydroxy-, (2S)- [ACD/Index Name]
201-163-2 [EINECS]
78-97-7 [RN]
87834-47-7 [RN]
lactonitrile
UNII-SJ38QDA188

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

    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

    Click to predict properties on the Chemicalize site


    Advertisement