ChemSpider 2D Image | 1-Hydroxy-7-methoxy-2,8-bis(3-methylbutyl)-9-oxo-9H-xanthene-3,6-diyl dibenzoate | C38H38O8

1-Hydroxy-7-methoxy-2,8-bis(3-methylbutyl)-9-oxo-9H-xanthene-3,6-diyl dibenzoate

  • Molecular FormulaC38H38O8
  • Average mass622.703 Da
  • Monoisotopic mass622.256653 Da
  • ChemSpider ID34526189

More details:

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

1-Hydroxy-7-methoxy-2,8-bis(3-methylbutyl)-9-oxo-9H-xanthen-3,6-diyl-dibenzoat [German] [ACD/IUPAC Name]
1-Hydroxy-7-methoxy-2,8-bis(3-methylbutyl)-9-oxo-9H-xanthene-3,6-diyl dibenzoate [ACD/IUPAC Name]
9H-Xanthen-9-one, 3,6-bis(benzoyloxy)-1-hydroxy-7-methoxy-2,8-bis(3-methylbutyl)- [ACD/Index Name]
Dibenzoate de 1-hydroxy-7-méthoxy-2,8-bis(3-méthylbutyl)-9-oxo-9H-xanthène-3,6-diyle [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 781.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 117.7±3.0 kJ/mol
Flash Point: 242.9±26.4 °C
Index of Refraction: 1.601
Molar Refractivity: 174.2±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 10.31
ACD/LogD (pH 5.5): 8.46
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 872763.38
ACD/LogD (pH 7.4): 7.28
ACD/BCF (pH 7.4): 100825.21
ACD/KOC (pH 7.4): 58074.39
Polar Surface Area: 108 Å2
Polarizability: 69.1±0.5 10-24cm3
Surface Tension: 50.1±3.0 dyne/cm
Molar Volume: 508.3±3.0 cm3

Click to predict properties on the Chemicalize site


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