ChemSpider 2D Image | (2-Isothiocyanatoethyl)cyclopentane | C8H13NS

(2-Isothiocyanatoethyl)cyclopentane

  • Molecular FormulaC8H13NS
  • Average mass155.260 Da
  • Monoisotopic mass155.076874 Da
  • ChemSpider ID21636756

More details:

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

(2-Isothiocyanatoethyl)cyclopentan [German] [ACD/IUPAC Name]
(2-Isothiocyanatoethyl)cyclopentane [ACD/IUPAC Name]
(2-Isothiocyanatoéthyl)cyclopentane [French] [ACD/IUPAC Name]
24321-79-7 [RN]
Cyclopentane, (2-isothiocyanatoethyl)- [ACD/Index Name]
MFCD09055322 [MDL number]
2-isothiocyanatoethylcyclopentane
ISOTHIOCYANIC ACID 2-CYCLOPENTYLETHYL ESTER
Isothiocyanic acid, 2-cyclopentylethyl ester (8CI)

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 249.8±9.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.5 mmHg at 25°C
    Enthalpy of Vaporization: 46.7±3.0 kJ/mol
    Flash Point: 104.6±26.5 °C
    Index of Refraction: 1.560
    Molar Refractivity: 47.2±0.5 cm3
    #H bond acceptors: 1
    #H bond donors: 0
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 3.50
    ACD/LogD (pH 5.5): 3.63
    ACD/BCF (pH 5.5): 339.33
    ACD/KOC (pH 5.5): 2254.39
    ACD/LogD (pH 7.4): 3.63
    ACD/BCF (pH 7.4): 339.33
    ACD/KOC (pH 7.4): 2254.39
    Polar Surface Area: 44 Å2
    Polarizability: 18.7±0.5 10-24cm3
    Surface Tension: 35.7±7.0 dyne/cm
    Molar Volume: 146.0±7.0 cm3

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