ChemSpider 2D Image | 1-(Hydroxymethyl)cyclopropanecarbonitrile | C5H7NO

1-(Hydroxymethyl)cyclopropanecarbonitrile

  • Molecular FormulaC5H7NO
  • Average mass97.115 Da
  • Monoisotopic mass97.052765 Da
  • ChemSpider ID10766072

More details:

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

1-(Hydroxymethyl)cyclopropancarbonitril [German] [ACD/IUPAC Name]
1-(hydroxymethyl)cyclopropane-1-carbonitrile
1-(Hydroxymethyl)cyclopropanecarbonitrile [ACD/IUPAC Name]
1-(Hydroxyméthyl)cyclopropanecarbonitrile [French] [ACD/IUPAC Name]
98730-77-9 [RN]
Cyclopropanecarbonitrile, 1-(hydroxymethyl)- [ACD/Index Name]
(1-cyanocyclopropyl)methanol
(1-cyanocyclopropyl)methoxy
[98730-77-9] [RN]
1-(hydroxymethyl)-1-cyclopropanecarbonitrile
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CCRIS 4693 [DBID]
MFCD11042632 [DBID]

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 227.9±13.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 54.0±6.0 kJ/mol
    Flash Point: 91.6±19.8 °C
    Index of Refraction: 1.497
    Molar Refractivity: 24.6±0.4 cm3
    #H bond acceptors: 2
    #H bond donors: 1
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: -1.07
    ACD/LogD (pH 5.5): -0.32
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 15.89
    ACD/LogD (pH 7.4): -0.32
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 15.89
    Polar Surface Area: 44 Å2
    Polarizability: 9.8±0.5 10-24cm3
    Surface Tension: 49.4±5.0 dyne/cm
    Molar Volume: 84.2±5.0 cm3

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