ChemSpider 2D Image | 2,16-Dihexyl-6,7,9,10,12,13,20,21,23,24,26,27-dodecahydrodibenzo[b,n][1,4,7,10,13,16,19,22]octaoxacyclotetracosine | C36H56O8

2,16-Dihexyl-6,7,9,10,12,13,20,21,23,24,26,27-dodecahydrodibenzo[b,n][1,4,7,10,13,16,19,22]octaoxacyclotetracosine

  • Molecular FormulaC36H56O8
  • Average mass616.825 Da
  • Monoisotopic mass616.397522 Da
  • ChemSpider ID2657600

More details:

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

2,16-Dihexyl-6,7,9,10,12,13,20,21,23,24,26,27-dodecahydrodibenzo[b,n][1,4,7,10,13,16,19,22]octaoxacyclotetracosin [German] [ACD/IUPAC Name]
2,16-Dihexyl-6,7,9,10,12,13,20,21,23,24,26,27-dodecahydrodibenzo[b,n][1,4,7,10,13,16,19,22]octaoxacyclotetracosine [ACD/IUPAC Name]
2,16-Dihexyl-6,7,9,10,12,13,20,21,23,24,26,27-dodécahydrodibenzo[b,n][1,4,7,10,13,16,19,22]octaoxacyclotétracosine [French] [ACD/IUPAC Name]
Dibenz[b,n][1,4,7,10,13,16,19,22]octaoxacyclotetracosin, 2,16-dihexyl-6,7,9,10,12,13,20,21,23,24,26,27-dodecahydro- [ACD/Index Name]
2,16-dihexyl-5,6,7,8,9,10,11,12,13,14,19,20,21,22,23,24,25,26,27,28-icosahydro dibenzo[a,m][24]annulene
2,16-dihexyl-5,6,7,8,9,10,11,12,13,14,19,20,21,22,23,24,25,26,27,28-icosahydrodibenzo[a,m][24]annulene

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

Density: 1.0±0.1 g/cm3
Boiling Point: 705.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 99.6±3.0 kJ/mol
Flash Point: 256.3±32.8 °C
Index of Refraction: 1.479
Molar Refractivity: 173.5±0.3 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 7.80
ACD/LogD (pH 5.5): 7.76
ACD/BCF (pH 5.5): 466734.34
ACD/KOC (pH 5.5): 397641.84
ACD/LogD (pH 7.4): 7.76
ACD/BCF (pH 7.4): 466734.34
ACD/KOC (pH 7.4): 397641.84
Polar Surface Area: 74 Å2
Polarizability: 68.8±0.5 10-24cm3
Surface Tension: 35.8±3.0 dyne/cm
Molar Volume: 611.4±3.0 cm3

Click to predict properties on the Chemicalize site


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