ChemSpider 2D Image | [(1R,2R)-2-Ethynylcyclopropyl]benzene | C11H10

[(1R,2R)-2-Ethynylcyclopropyl]benzene

  • Molecular FormulaC11H10
  • Average mass142.197 Da
  • Monoisotopic mass142.078247 Da
  • ChemSpider ID29335384

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

[(1R,2R)-2-Ethinylcyclopropyl]benzol [German] [ACD/IUPAC Name]
[(1R,2R)-2-Ethynylcyclopropyl]benzene [ACD/IUPAC Name]
[(1R,2R)-2-Éthynylcyclopropyl]benzène [French] [ACD/IUPAC Name]
Benzene, [(1R,2R)-2-ethynylcyclopropyl]- [ACD/Index Name]
(trans-2-Ethynylcyclopropyl)benzene
144293-48-1 [RN]
2165851-63-6 [RN]
MFCD30530412
rel-((1R,2R)-2-Ethynylcyclopropyl)benzene
trans-2-phenylcyclopropylethyne

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

    Density: 1.0±0.1 g/cm3
    Boiling Point: 205.2±20.0 °C at 760 mmHg
    Vapour Pressure: 0.4±0.2 mmHg at 25°C
    Enthalpy of Vaporization: 42.3±0.8 kJ/mol
    Flash Point: 66.4±15.9 °C
    Index of Refraction: 1.567
    Molar Refractivity: 45.6±0.4 cm3
    #H bond acceptors: 0
    #H bond donors: 0
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 2.80
    ACD/LogD (pH 5.5): 2.87
    ACD/BCF (pH 5.5): 88.64
    ACD/KOC (pH 5.5): 862.40
    ACD/LogD (pH 7.4): 2.87
    ACD/BCF (pH 7.4): 88.64
    ACD/KOC (pH 7.4): 862.40
    Polar Surface Area: 0 Å2
    Polarizability: 18.1±0.5 10-24cm3
    Surface Tension: 39.5±5.0 dyne/cm
    Molar Volume: 139.6±5.0 cm3

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