ChemSpider 2D Image | 1,3-Butadiyne-1,4-diyldi-4,1-phenylene diundecanoate | C38H50O4

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

  • Molecular FormulaC38H50O4
  • Average mass570.801 Da
  • Monoisotopic mass570.370911 Da
  • ChemSpider ID127461

More details:

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

1,3-Butadiin-1,4-diyldi-4,1-phenylen-diundecanoat [German] [ACD/IUPAC Name]
1,3-Butadiyne-1,4-diyldi-4,1-phenylene diundecanoate [ACD/IUPAC Name]
Diundécanoate de 1,3-butadiyne-1,4-diyldi-4,1-phénylène [French] [ACD/IUPAC Name]
Undecanoic acid, 1,3-butadiyne-1,4-diyldi-4,1-phenylene ester [ACD/Index Name]
4,4'-Diundecanoyloxydiphenyldiacetylene
71332-86-0 [RN]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 656.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.6±3.0 kJ/mol
Flash Point: 319.8±29.9 °C
Index of Refraction: 1.545
Molar Refractivity: 171.6±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 25
#Rule of 5 Violations: 2
ACD/LogP: 14.65
ACD/LogD (pH 5.5): 13.93
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 13.93
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 53 Å2
Polarizability: 68.0±0.5 10-24cm3
Surface Tension: 47.0±5.0 dyne/cm
Molar Volume: 542.9±5.0 cm3

Click to predict properties on the Chemicalize site


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