ChemSpider 2D Image | 1-(3-Buten-1-yn-1-yl)-3-ethynylbenzene | C12H8

1-(3-Buten-1-yn-1-yl)-3-ethynylbenzene

  • Molecular FormulaC12H8
  • Average mass152.192 Da
  • Monoisotopic mass152.062607 Da
  • ChemSpider ID90429742

More details:

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

1-(3-Buten-1-in-1-yl)-3-ethinylbenzol [German] [ACD/IUPAC Name]
1-(3-Buten-1-yn-1-yl)-3-ethynylbenzene [ACD/IUPAC Name]
1-(3-Butén-1-yn-1-yl)-3-éthynylbenzène [French] [ACD/IUPAC Name]
Benzene, 1-(3-buten-1-yn-1-yl)-3-ethynyl- [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 249.5±32.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.2 mmHg at 25°C
Enthalpy of Vaporization: 46.7±0.8 kJ/mol
Flash Point: 94.1±19.2 °C
Index of Refraction: 1.575
Molar Refractivity: 50.1±0.4 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.90
ACD/LogD (pH 5.5): 3.70
ACD/BCF (pH 5.5): 384.84
ACD/KOC (pH 5.5): 2466.89
ACD/LogD (pH 7.4): 3.70
ACD/BCF (pH 7.4): 384.84
ACD/KOC (pH 7.4): 2466.89
Polar Surface Area: 0 Å2
Polarizability: 19.9±0.5 10-24cm3
Surface Tension: 42.8±5.0 dyne/cm
Molar Volume: 151.7±5.0 cm3

Click to predict properties on the Chemicalize site


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