ChemSpider 2D Image | 6,6'-Methylenebis[2-(3-propoxyphenyl)-4H-3,1-benzoxazin-4-one] | C35H30N2O6

6,6'-Methylenebis[2-(3-propoxyphenyl)-4H-3,1-benzoxazin-4-one]

  • Molecular FormulaC35H30N2O6
  • Average mass574.622 Da
  • Monoisotopic mass574.210388 Da
  • ChemSpider ID4348715

More details:

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

4H-3,1-Benzoxazin-4-one, 6,6'-methylenebis[2-(3-propoxyphenyl)- [ACD/Index Name]
6,6'-Methylenbis[2-(3-propoxyphenyl)-4H-3,1-benzoxazin-4-on] [German] [ACD/IUPAC Name]
6,6'-Methylenebis[2-(3-propoxyphenyl)-4H-3,1-benzoxazin-4-one] [ACD/IUPAC Name]
6,6'-Méthylènebis[2-(3-propoxyphényl)-4H-3,1-benzoxazin-4-one] [French] [ACD/IUPAC Name]
6-[[4-OXO-2-(3-PROPOXYPHENYL)-3,1-BENZOXAZIN-6-YL]METHYL]-2-(3-PROPOXYPHENYL)-3,1-BENZOXAZIN-4-ONE

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

Density: 1.3±0.1 g/cm3
Boiling Point: 726.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 106.1±3.0 kJ/mol
Flash Point: 240.1±27.3 °C
Index of Refraction: 1.633
Molar Refractivity: 161.6±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 7.32
ACD/LogD (pH 5.5): 6.91
ACD/BCF (pH 5.5): 105460.05
ACD/KOC (pH 5.5): 137117.70
ACD/LogD (pH 7.4): 6.91
ACD/BCF (pH 7.4): 105469.89
ACD/KOC (pH 7.4): 137130.50
Polar Surface Area: 96 Å2
Polarizability: 64.0±0.5 10-24cm3
Surface Tension: 47.9±7.0 dyne/cm
Molar Volume: 452.1±7.0 cm3

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