ChemSpider 2D Image | 1,3-Butadiyne-1,4-diyldi-4,1-phenylene didodecanoate | C40H54O4

1,3-Butadiyne-1,4-diyldi-4,1-phenylene didodecanoate

  • Molecular FormulaC40H54O4
  • Average mass598.854 Da
  • Monoisotopic mass598.402222 Da
  • ChemSpider ID128124

More details:






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

1,3-Butadiin-1,4-diyldi-4,1-phenylen-didodecanoat [German] [ACD/IUPAC Name]
1,3-Butadiyne-1,4-diyldi-4,1-phenylene didodecanoate [ACD/IUPAC Name]
Didodécanoate de 1,3-butadiyne-1,4-diyldi-4,1-phénylène [French] [ACD/IUPAC Name]
Dodecanoic acid, 1,3-butadiyne-1,4-diyldi-4,1-phenylene ester [ACD/Index Name]
4,4'-Didodecanoyloxydiphenyldiacetylene
92341-29-2 [RN]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.0±0.1 g/cm3
Boiling Point: 676.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.3±3.0 kJ/mol
Flash Point: 328.9±29.9 °C
Index of Refraction: 1.542
Molar Refractivity: 180.9±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 27
#Rule of 5 Violations: 2
ACD/LogP: 15.71
ACD/LogD (pH 5.5): 14.68
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 14.68
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 53 Å2
Polarizability: 71.7±0.5 10-24cm3
Surface Tension: 46.5±5.0 dyne/cm
Molar Volume: 575.0±5.0 cm3

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