ChemSpider 2D Image | 2,4-Hexadiyne-1,6-diyl bis[4-(dodecyloxy)benzoate] | C44H62O6

2,4-Hexadiyne-1,6-diyl bis[4-(dodecyloxy)benzoate]

  • Molecular FormulaC44H62O6
  • Average mass686.959 Da
  • Monoisotopic mass686.454651 Da
  • ChemSpider ID30660330

More details:

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

2,4-Hexadiin-1,6-diyl-bis[4-(dodecyloxy)benzoat] [German] [ACD/IUPAC Name]
2,4-Hexadiyne-1,6-diyl bis[4-(dodecyloxy)benzoate] [ACD/IUPAC Name]
Benzoic acid, 4-(dodecyloxy)-, 2,4-hexadiyne-1,6-diyl ester [ACD/Index Name]
Bis[4-(dodécyloxy)benzoate] de 2,4-hexadiyne-1,6-diyle [French] [ACD/IUPAC Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 764.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 111.3±3.0 kJ/mol
Flash Point: 302.3±31.5 °C
Index of Refraction: 1.521
Molar Refractivity: 203.8±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 33
#Rule of 5 Violations: 2
ACD/LogP: 18.32
ACD/LogD (pH 5.5): 16.78
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 16.78
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 71 Å2
Polarizability: 80.8±0.5 10-24cm3
Surface Tension: 41.1±3.0 dyne/cm
Molar Volume: 669.9±3.0 cm3

Click to predict properties on the Chemicalize site


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