ChemSpider 2D Image | 2,4,6-Heptatriyn-1-ylbenzene | C13H8

2,4,6-Heptatriyn-1-ylbenzene

  • Molecular FormulaC13H8
  • Average mass164.203 Da
  • Monoisotopic mass164.062607 Da
  • ChemSpider ID26532094

More details:

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

2,4,6-Heptatriin-1-ylbenzol [German] [ACD/IUPAC Name]
2,4,6-Heptatriyn-1-ylbenzene [ACD/IUPAC Name]
2,4,6-Heptatriyn-1-ylbenzène [French] [ACD/IUPAC Name]
Benzene, 2,4,6-heptatriyn-1-yl- [ACD/Index Name]
(Hepta-2,4,6-triyn-1-yl)benzene
4300-27-0 [RN]
89913-45-1 [RN]
BENZENE, (2,4,6-HEPTATRIYNYL)-

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

Density: 1.1±0.1 g/cm3
Boiling Point: 281.9±33.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 50.0±0.8 kJ/mol
Flash Point: 114.5±19.5 °C
Index of Refraction: 1.596
Molar Refractivity: 52.8±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 5.67
ACD/LogD (pH 5.5): 4.56
ACD/BCF (pH 5.5): 1713.48
ACD/KOC (pH 5.5): 7184.70
ACD/LogD (pH 7.4): 4.56
ACD/BCF (pH 7.4): 1713.48
ACD/KOC (pH 7.4): 7184.70
Polar Surface Area: 0 Å2
Polarizability: 20.9±0.5 10-24cm3
Surface Tension: 52.7±3.0 dyne/cm
Molar Volume: 155.2±3.0 cm3

Click to predict properties on the Chemicalize site


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