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Search term: 57518738 (Found by CSID)
ChemSpider 2D Image | Methyl 2,4,6-octatriynoate | C9H6O2

Methyl 2,4,6-octatriynoate

  • Molecular FormulaC9H6O2
  • Average mass146.143 Da
  • Monoisotopic mass146.036774 Da
  • ChemSpider ID57518738

More details:

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

2,4,6-Octatriynoate de méthyle [French] [ACD/IUPAC Name]
2,4,6-Octatriynoic acid, methyl ester [ACD/Index Name]
Methyl 2,4,6-octatriynoate [ACD/IUPAC Name]
Methyl-2,4,6-octatriinoat [German] [ACD/IUPAC Name]
62796-54-7 [RN]
METHYL OCTA-2,4,6-TRIYNOATE
octa-2,4,6-triynoic acid

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

Density: 1.1±0.1 g/cm3
Boiling Point: 213.8±23.0 °C at 760 mmHg
Vapour Pressure: 0.2±0.4 mmHg at 25°C
Enthalpy of Vaporization: 45.0±3.0 kJ/mol
Flash Point: 85.3±22.7 °C
Index of Refraction: 1.518
Molar Refractivity: 39.5±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.50
ACD/LogD (pH 5.5): 3.03
ACD/BCF (pH 5.5): 117.15
ACD/KOC (pH 5.5): 1052.99
ACD/LogD (pH 7.4): 3.03
ACD/BCF (pH 7.4): 117.15
ACD/KOC (pH 7.4): 1052.99
Polar Surface Area: 26 Å2
Polarizability: 15.7±0.5 10-24cm3
Surface Tension: 51.4±3.0 dyne/cm
Molar Volume: 130.5±3.0 cm3

Click to predict properties on the Chemicalize site


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