ChemSpider 2D Image | 1,5-Hexadiyn-3-ylbenzene | C12H10

1,5-Hexadiyn-3-ylbenzene

  • Molecular FormulaC12H10
  • Average mass154.208 Da
  • Monoisotopic mass154.078247 Da
  • ChemSpider ID29844322

More details:






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

1,5-Hexadiin-3-ylbenzol [German] [ACD/IUPAC Name]
1,5-Hexadiyn-3-ylbenzene [ACD/IUPAC Name]
1,5-Hexadiyn-3-ylbenzène [French] [ACD/IUPAC Name]
Benzene, (1-ethynyl-3-butyn-1-yl)- [ACD/Index Name]
"HEXA-1,5-DIYN-3-YLBENZENE"|"(HEXA-1,5-DIYN-3-YL)BENZENE"
(1-ethynylbut-3-yn-1-yl)benzene
(1-Ethynyl-but-3-ynyl)-benzene
1152430-74-4 [RN]
AGN-PC-0713Y3
benzene, (1-ethynyl-3-butynyl)-
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

    Density: 1.0±0.1 g/cm3
    Boiling Point: 229.3±20.0 °C at 760 mmHg
    Vapour Pressure: 0.1±0.2 mmHg at 25°C
    Enthalpy of Vaporization: 44.7±0.8 kJ/mol
    Flash Point: 88.2±6.1 °C
    Index of Refraction: 1.552
    Molar Refractivity: 50.0±0.3 cm3
    #H bond acceptors: 0
    #H bond donors: 0
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 3.12
    ACD/LogD (pH 5.5): 2.91
    ACD/BCF (pH 5.5): 95.82
    ACD/KOC (pH 5.5): 911.89
    ACD/LogD (pH 7.4): 2.91
    ACD/BCF (pH 7.4): 95.82
    ACD/KOC (pH 7.4): 911.89
    Polar Surface Area: 0 Å2
    Polarizability: 19.8±0.5 10-24cm3
    Surface Tension: 42.5±3.0 dyne/cm
    Molar Volume: 156.6±3.0 cm3

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