ChemSpider 2D Image | 13,16,19,22,25-Pentaoxaheptacyclo[25.9.2.2~8,11~.0~1,9~.0~2,7~.0~30,37~.0~31,36~]tetraconta-2,4,6,8,10,27,29,31,33,35,37,39-dodecaene | C35H34O5

13,16,19,22,25-Pentaoxaheptacyclo[25.9.2.28,11.01,9.02,7.030,37.031,36]tetraconta-2,4,6,8,10,27,29,31,33,35,37,39-dodecaene

  • Molecular FormulaC35H34O5
  • Average mass534.641 Da
  • Monoisotopic mass534.240601 Da
  • ChemSpider ID472379

More details:

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

1,28:10,12-Dietheno-13H,27H-diindeno[2,1-q:1',2'-r][1,4,7,10,13]pentaoxacyclodocosin, 15,16,18,19,21,22,24,25-octahydro- [ACD/Index Name]
13,16,19,22,25-Pentaoxaheptacyclo[25.9.2.28,11.01,9.02,7.030,37.031,36]tetraconta-2,4,6,8,10,27,29,31,33,35,37,39-dodecaen [German] [ACD/IUPAC Name]
13,16,19,22,25-Pentaoxaheptacyclo[25.9.2.28,11.01,9.02,7.030,37.031,36]tetraconta-2,4,6,8,10,27,29,31,33,35,37,39-dodecaene [ACD/IUPAC Name]
13,16,19,22,25-Pentaoxaheptacyclo[25.9.2.28,11.01,9.02,7.030,37.031,36]tétraconta-2,4,6,8,10,27,29,31,33,35,37,39-dodécaène [French] [ACD/IUPAC Name]
5,7:23,25-Dietheno-8H,22H-diindeno[2,1-q:1',2'-r][1,4,7,10,13]pentaoxacyclodocosin, 10,11,13,14,16,17,19,20-octahydro-

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

Density: 1.3±0.1 g/cm3
Boiling Point: 695.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 98.2±3.0 kJ/mol
Flash Point: 269.7±30.0 °C
Index of Refraction: 1.660
Molar Refractivity: 154.4±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 2
ACD/LogP: 5.69
ACD/LogD (pH 5.5): 5.99
ACD/BCF (pH 5.5): 21143.98
ACD/KOC (pH 5.5): 43406.49
ACD/LogD (pH 7.4): 5.99
ACD/BCF (pH 7.4): 21143.98
ACD/KOC (pH 7.4): 43406.49
Polar Surface Area: 46 Å2
Polarizability: 61.2±0.5 10-24cm3
Surface Tension: 60.1±5.0 dyne/cm
Molar Volume: 418.3±5.0 cm3

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