ChemSpider 2D Image | Dimethyl 12,21-dihydro-10H,19H-phenanthro[9',10':3,4][2,5]benzodioxocino[8,9-c][1,6]benzodioxocine-15,16-dicarboxylate | C34H26O8

Dimethyl 12,21-dihydro-10H,19H-phenanthro[9',10':3,4][2,5]benzodioxocino[8,9-c][1,6]benzodioxocine-15,16-dicarboxylate

  • Molecular FormulaC34H26O8
  • Average mass562.565 Da
  • Monoisotopic mass562.162781 Da
  • ChemSpider ID4422033

More details:

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

10H,19H-Benzo[b]phenanthro[9,10-b']benzo[1,2-f:4,5-f']bis[1,4]dioxocin-15,16-dicarboxylic acid, 12,21-dihydro-, dimethyl ester [ACD/Index Name]
12,21-Dihydro-10H,19H-phénanthro[9',10':3,4][2,5]benzodioxocino[8,9-c][1,6]benzodioxocine-15,16-dicarboxylate de diméthyle [French] [ACD/IUPAC Name]
Dimethyl 12,21-dihydro-10H,19H-phenanthro[9',10':3,4][2,5]benzodioxocino[8,9-c][1,6]benzodioxocine-15,16-dicarboxylate [ACD/IUPAC Name]
Dimethyl-12,21-dihydro-10H,19H-phenanthro[9',10':3,4][2,5]benzodioxocino[8,9-c][1,6]benzodioxocin-15,16-dicarboxylat [German] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 737.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 107.6±3.0 kJ/mol
Flash Point: 309.2±32.9 °C
Index of Refraction: 1.663
Molar Refractivity: 156.2±0.3 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 7.09
ACD/LogD (pH 5.5): 6.67
ACD/BCF (pH 5.5): 69522.89
ACD/KOC (pH 5.5): 101759.63
ACD/LogD (pH 7.4): 6.67
ACD/BCF (pH 7.4): 69522.89
ACD/KOC (pH 7.4): 101759.63
Polar Surface Area: 90 Å2
Polarizability: 61.9±0.5 10-24cm3
Surface Tension: 57.6±3.0 dyne/cm
Molar Volume: 421.9±3.0 cm3

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