ChemSpider 2D Image | 2,5,6-Trimethyl-1,3,6-heptatriene | C10H16

2,5,6-Trimethyl-1,3,6-heptatriene

  • Molecular FormulaC10H16
  • Average mass136.234 Da
  • Monoisotopic mass136.125198 Da
  • ChemSpider ID23255700

More details:

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

1,3,6-Heptatriene, 2,5,6-trimethyl- [ACD/Index Name]
2,5,6-Trimethyl-1,3,6-heptatrien [German] [ACD/IUPAC Name]
2,5,6-Trimethyl-1,3,6-heptatriene [ACD/IUPAC Name]
2,5,6-Triméthyl-1,3,6-heptatriène [French] [ACD/IUPAC Name]
2,5,6-trimethylhepta-1,3,6-triene
42123-66-0 [RN]
AGN-PC-0JSDDH
hepta-1,3,6-triene, 2,5,6-trimethyl-

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

Density: 0.8±0.1 g/cm3
Boiling Point: 167.9±10.0 °C at 760 mmHg
Vapour Pressure: 2.2±0.1 mmHg at 25°C
Enthalpy of Vaporization: 38.8±0.8 kJ/mol
Flash Point: 43.3±13.8 °C
Index of Refraction: 1.448
Molar Refractivity: 47.5±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.52
ACD/LogD (pH 5.5): 3.91
ACD/BCF (pH 5.5): 548.47
ACD/KOC (pH 5.5): 3179.00
ACD/LogD (pH 7.4): 3.91
ACD/BCF (pH 7.4): 548.47
ACD/KOC (pH 7.4): 3179.00
Polar Surface Area: 0 Å2
Polarizability: 18.8±0.5 10-24cm3
Surface Tension: 22.2±3.0 dyne/cm
Molar Volume: 177.4±3.0 cm3

Click to predict properties on the Chemicalize site


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