ChemSpider 2D Image | 19-(Dodecyloxy)-3,6,9,12,15-pentaoxabicyclo[15.3.1]henicosa-1(21),17,19-triene-21-carboxylic acid | C29H48O8

19-(Dodecyloxy)-3,6,9,12,15-pentaoxabicyclo[15.3.1]henicosa-1(21),17,19-triene-21-carboxylic acid

  • Molecular FormulaC29H48O8
  • Average mass524.687 Da
  • Monoisotopic mass524.334900 Da
  • ChemSpider ID8896201

More details:

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

19-(Dodecyloxy)-3,6,9,12,15-pentaoxabicyclo[15.3.1]henicosa-1(21),17,19-trien-21-carbonsäure [German] [ACD/IUPAC Name]
19-(Dodecyloxy)-3,6,9,12,15-pentaoxabicyclo[15.3.1]henicosa-1(21),17,19-triene-21-carboxylic acid [ACD/IUPAC Name]
3,6,9,12,15-Pentaoxabicyclo[15.3.1]heneicosa-1(21),17,19-triene-21-carboxylic acid, 19-(dodecyloxy)- [ACD/Index Name]
Acide 19-(dodécyloxy)-3,6,9,12,15-pentaoxabicyclo[15.3.1]hénicosa-1(21),17,19-triène-21-carboxylique [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: 665.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 102.7±3.0 kJ/mol
Flash Point: 208.0±25.0 °C
Index of Refraction: 1.480
Molar Refractivity: 143.3±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 7.00
ACD/LogD (pH 5.5): 5.37
ACD/BCF (pH 5.5): 2885.73
ACD/KOC (pH 5.5): 3603.07
ACD/LogD (pH 7.4): 3.99
ACD/BCF (pH 7.4): 122.17
ACD/KOC (pH 7.4): 152.54
Polar Surface Area: 93 Å2
Polarizability: 56.8±0.5 10-24cm3
Surface Tension: 38.0±3.0 dyne/cm
Molar Volume: 504.7±3.0 cm3

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