ChemSpider 2D Image | 25-(Dodecyloxy)-3,6,9,12,15,18,21-heptaoxabicyclo[21.3.1]heptacosa-1(27),23,25-triene-27-carboxylic acid | C33H56O10

25-(Dodecyloxy)-3,6,9,12,15,18,21-heptaoxabicyclo[21.3.1]heptacosa-1(27),23,25-triene-27-carboxylic acid

  • Molecular FormulaC33H56O10
  • Average mass612.792 Da
  • Monoisotopic mass612.387329 Da
  • ChemSpider ID8850616

More details:

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

25-(Dodecyloxy)-3,6,9,12,15,18,21-heptaoxabicyclo[21.3.1]heptacosa-1(27),23,25-trien-27-carbonsäure [German] [ACD/IUPAC Name]
25-(Dodecyloxy)-3,6,9,12,15,18,21-heptaoxabicyclo[21.3.1]heptacosa-1(27),23,25-triene-27-carboxylic acid [ACD/IUPAC Name]
3,6,9,12,15,18,21-Heptaoxabicyclo[21.3.1]heptacosa-1(27),23,25-triene-27-carboxylic acid, 25-(dodecyloxy)- [ACD/Index Name]
Acide 25-(dodécyloxy)-3,6,9,12,15,18,21-heptaoxabicyclo[21.3.1]heptacosa-1(27),23,25-triène-27-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: 738.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 113.0±3.0 kJ/mol
Flash Point: 223.6±26.4 °C
Index of Refraction: 1.468
Molar Refractivity: 165.0±0.3 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: 6.73
ACD/LogD (pH 5.5): 5.17
ACD/BCF (pH 5.5): 2030.97
ACD/KOC (pH 5.5): 2801.67
ACD/LogD (pH 7.4): 3.80
ACD/BCF (pH 7.4): 86.01
ACD/KOC (pH 7.4): 118.65
Polar Surface Area: 111 Å2
Polarizability: 65.4±0.5 10-24cm3
Surface Tension: 37.0±3.0 dyne/cm
Molar Volume: 593.2±3.0 cm3

Click to predict properties on the Chemicalize site


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