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Search term: 19632221 (Found by CSID)

ChemSpider 2D Image | 2,4,6-Octatriynoic acid | C8H4O2

2,4,6-Octatriynoic acid

  • Molecular FormulaC8H4O2
  • Average mass132.116 Da
  • Monoisotopic mass132.021133 Da
  • ChemSpider ID19632221

More details:






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

2,4,6-Octatriinsäure [German] [ACD/IUPAC Name]
2,4,6-Octatriynoic acid [ACD/Index Name] [ACD/IUPAC Name]
51193-80-7 [RN]
Acide 2,4,6-octatriynoïque [French] [ACD/IUPAC Name]
"OCTA-2,4,6-TRIYNOIC ACID"
MFCD19228596
octa-2,4,6-triynoic acid

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

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

Density: 1.3±0.0 g/cm3
Boiling Point: 270.2±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.0 mmHg at 25°C
Enthalpy of Vaporization: 56.0±0.0 kJ/mol
Flash Point: 131.4±0.0 °C
Index of Refraction: 1.574
Molar Refractivity: 34.7±0.0 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 3.92
ACD/LogD (pH 5.5): 0.60
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.55
ACD/LogD (pH 7.4): 0.18
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 37 Å2
Polarizability: 13.8±0.0 10-24cm3
Surface Tension: 72.4±0.0 dyne/cm
Molar Volume: 105.1±0.0 cm3

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