ChemSpider 2D Image | (19Z,38Z)-6,7,9,10,12,13,27,28,30,31-Decahydro-21H,37H-tetrabenzo[k,p,y,d_1_][1,4,7,10,18,21,24]heptaoxacyclohentriacontine-21,37-dione | C40H40O9

(19Z,38Z)-6,7,9,10,12,13,27,28,30,31-Decahydro-21H,37H-tetrabenzo[k,p,y,d1][1,4,7,10,18,21,24]heptaoxacyclohentriacontine-21,37-dione

  • Molecular FormulaC40H40O9
  • Average mass664.740 Da
  • Monoisotopic mass664.267212 Da
  • ChemSpider ID30656662

  • Double-bond stereo - Double-bond stereo

More details:

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

(19Z,38Z)-6,7,9,10,12,13,27,28,30,31-Decahydro-21H,37H-tetrabenzo[k,p,y,d1][1,4,7,10,18,21,24]heptaoxacyclohentriacontin-21,37-dion [German] [ACD/IUPAC Name]
(19Z,38Z)-6,7,9,10,12,13,27,28,30,31-Decahydro-21H,37H-tetrabenzo[k,p,y,d1][1,4,7,10,18,21,24]heptaoxacyclohentriacontine-21,37-dione [ACD/IUPAC Name]
(19Z,38Z)-6,7,9,10,12,13,27,28,30,31-Décahydro-21H,37H-tétrabenzo[k,p,y,d1][1,4,7,10,18,21,24]heptaoxacyclohéntriacontine-21,37-dione [French] [ACD/IUPAC Name]
21H,37H-Tetrabenzo[k,p,y,d1][1,4,7,10,18,21,24]heptaoxacyclohentriacontin-21,37-dione, 6,7,9,10,12,13,27,28,30,31-decahydro-, (19Z,38Z)- [ACD/Index 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: 840.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 122.1±3.0 kJ/mol
Flash Point: 339.8±34.3 °C
Index of Refraction: 1.536
Molar Refractivity: 182.9±0.3 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 2
ACD/LogP: 6.50
ACD/LogD (pH 5.5): 6.14
ACD/BCF (pH 5.5): 27141.97
ACD/KOC (pH 5.5): 51902.13
ACD/LogD (pH 7.4): 6.14
ACD/BCF (pH 7.4): 27141.97
ACD/KOC (pH 7.4): 51902.13
Polar Surface Area: 99 Å2
Polarizability: 72.5±0.5 10-24cm3
Surface Tension: 38.3±3.0 dyne/cm
Molar Volume: 586.0±3.0 cm3

Click to predict properties on the Chemicalize site


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