ChemSpider 2D Image | 3,6,10,11-Tetrakis(pentyloxy)-2,7-triphenylenediyl diacetate | C42H56O8

3,6,10,11-Tetrakis(pentyloxy)-2,7-triphenylenediyl diacetate

  • Molecular FormulaC42H56O8
  • Average mass688.889 Da
  • Monoisotopic mass688.397522 Da
  • ChemSpider ID57513774

More details:

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

2,7-Triphenylenediol, 3,6,10,11-tetrakis(pentyloxy)-, diacetate [ACD/Index Name]
3,6,10,11-Tetrakis(pentyloxy)-2,7-triphenylendiyl-diacetat [German] [ACD/IUPAC Name]
3,6,10,11-Tetrakis(pentyloxy)-2,7-triphenylenediyl diacetate [ACD/IUPAC Name]
Diacétate de 3,6,10,11-tétrakis(pentyloxy)-2,7-triphénylènediyle [French] [ACD/IUPAC Name]
7-(ACETYLOXY)-3,6,10,11-TETRAKIS(PENTYLOXY)TRIPHENYLEN-2-YL ACETATE

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

Density: 1.1±0.1 g/cm3
Boiling Point: 748.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 109.1±3.0 kJ/mol
Flash Point: 298.9±31.5 °C
Index of Refraction: 1.562
Molar Refractivity: 203.3±0.3 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 24
#Rule of 5 Violations: 2
ACD/LogP: 12.47
ACD/LogD (pH 5.5): 12.25
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 12.25
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 90 Å2
Polarizability: 80.6±0.5 10-24cm3
Surface Tension: 40.8±3.0 dyne/cm
Molar Volume: 627.2±3.0 cm3

Click to predict properties on the Chemicalize site


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