ChemSpider 2D Image | 2-[3,4-Bis(pentyloxy)phenyl]-7-methoxy-3,5,8-tris(pentyloxy)-4H-chromen-4-one | C41H62O8

2-[3,4-Bis(pentyloxy)phenyl]-7-methoxy-3,5,8-tris(pentyloxy)-4H-chromen-4-one

  • Molecular FormulaC41H62O8
  • Average mass682.926 Da
  • Monoisotopic mass682.444458 Da
  • ChemSpider ID9673286

More details:

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

2-[3,4-Bis(pentyloxy)phenyl]-7-methoxy-3,5,8-tris(pentyloxy)-4H-chromen-4-on [German] [ACD/IUPAC Name]
2-[3,4-Bis(pentyloxy)phenyl]-7-methoxy-3,5,8-tris(pentyloxy)-4H-chromen-4-one [ACD/IUPAC Name]
2-[3,4-Bis(pentyloxy)phényl]-7-méthoxy-3,5,8-tris(pentyloxy)-4H-chromén-4-one [French] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 2-[3,4-bis(pentyloxy)phenyl]-7-methoxy-3,5,8-tris(pentyloxy)- [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: 766.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 111.6±3.0 kJ/mol
Flash Point: 305.1±32.9 °C
Index of Refraction: 1.533
Molar Refractivity: 195.4±0.4 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 27
#Rule of 5 Violations: 2
ACD/LogP: 12.52
ACD/LogD (pH 5.5): 12.17
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 12.17
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 82 Å2
Polarizability: 77.5±0.5 10-24cm3
Surface Tension: 44.6±5.0 dyne/cm
Molar Volume: 629.6±5.0 cm3

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