ChemSpider 2D Image | (2E,10E)-2,10,12-Tridecatriene-4,6,8-triynal | C13H8O

(2E,10E)-2,10,12-Tridecatriene-4,6,8-triynal

  • Molecular FormulaC13H8O
  • Average mass180.202 Da
  • Monoisotopic mass180.057510 Da
  • ChemSpider ID61836245

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E,10E)-2,10,12-Tridecatrien-4,6,8-triinal [German] [ACD/IUPAC Name]
(2E,10E)-2,10,12-Tridecatriene-4,6,8-triynal [ACD/IUPAC Name]
(2E,10E)-2,10,12-Tridécatriène-4,6,8-triynal [French] [ACD/IUPAC Name]
2,10,12-Tridecatriene-4,6,8-triynal, (2E,10E)- [ACD/Index Name]
132237-71-9 [RN]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 310.1±44.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 55.1±3.0 kJ/mol
Flash Point: 131.6±23.4 °C
Index of Refraction: 1.566
Molar Refractivity: 56.3±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.60
ACD/LogD (pH 5.5): 3.88
ACD/BCF (pH 5.5): 523.16
ACD/KOC (pH 5.5): 3073.28
ACD/LogD (pH 7.4): 3.88
ACD/BCF (pH 7.4): 523.16
ACD/KOC (pH 7.4): 3073.28
Polar Surface Area: 17 Å2
Polarizability: 22.3±0.5 10-24cm3
Surface Tension: 48.7±3.0 dyne/cm
Molar Volume: 172.7±3.0 cm3

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