ChemSpider 2D Image | 5,8,11,17,20,23,29,32,35,41,44,47-Dodecaoxapentacyclo[25.21.0.0~3,25~.0~13,39~.0~15,37~]octatetraconta-1(27),2,13(39),14,25,37-hexaene | C36H52O12

5,8,11,17,20,23,29,32,35,41,44,47-Dodecaoxapentacyclo[25.21.0.03,25.013,39.015,37]octatetraconta-1(27),2,13(39),14,25,37-hexaene

  • Molecular FormulaC36H52O12
  • Average mass676.791 Da
  • Monoisotopic mass676.345886 Da
  • ChemSpider ID8208036

More details:

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

5,8,11,17,20,23,29,32,35,41,44,47-Dodecaoxapentacyclo[25.21.0.03,25.013,39.015,37]octatetraconta-1(27),2,13(39),14,25,37-hexaen [German] [ACD/IUPAC Name]
5,8,11,17,20,23,29,32,35,41,44,47-Dodecaoxapentacyclo[25.21.0.03,25.013,39.015,37]octatetraconta-1(27),2,13(39),14,25,37-hexaene [ACD/IUPAC Name]
5,8,11,17,20,23,29,32,35,41,44,47-Dodécaoxapentacyclo[25.21.0.03,25.013,39.015,37]octatétraconta-1(27),2,13(39),14,25,37-hexaène [French] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 842.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 118.2±3.0 kJ/mol
Flash Point: 312.8±32.8 °C
Index of Refraction: 1.485
Molar Refractivity: 175.8±0.3 cm3
#H bond acceptors: 12
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 2
ACD/LogP: 2.97
ACD/LogD (pH 5.5): 2.95
ACD/BCF (pH 5.5): 102.22
ACD/KOC (pH 5.5): 955.10
ACD/LogD (pH 7.4): 2.95
ACD/BCF (pH 7.4): 102.22
ACD/KOC (pH 7.4): 955.10
Polar Surface Area: 111 Å2
Polarizability: 69.7±0.5 10-24cm3
Surface Tension: 39.2±3.0 dyne/cm
Molar Volume: 613.4±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement