ChemSpider 2D Image | hofmeisterin II | C18H18O4

hofmeisterin II

  • Molecular FormulaC18H18O4
  • Average mass298.333 Da
  • Monoisotopic mass298.120514 Da
  • ChemSpider ID28285035

More details:

Featured data source
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1,4-Bis(2-hydroxy-4-methylphenyl)-1,4-butandion [German] [ACD/IUPAC Name]
1,4-Bis(2-hydroxy-4-methylphenyl)-1,4-butanedione [ACD/IUPAC Name]
1,4-Bis(2-hydroxy-4-méthylphényl)-1,4-butanedione [French] [ACD/IUPAC Name]
1,4-Butanedione, 1,4-bis(2-hydroxy-4-methylphenyl)- [ACD/Index Name]
hofmeisterin II
122427-50-3 [RN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 496.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 79.3±3.0 kJ/mol
Flash Point: 267.9±25.2 °C
Index of Refraction: 1.608
Molar Refractivity: 83.9±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.79
ACD/LogD (pH 5.5): 4.44
ACD/BCF (pH 5.5): 1391.94
ACD/KOC (pH 5.5): 6178.52
ACD/LogD (pH 7.4): 4.22
ACD/BCF (pH 7.4): 836.00
ACD/KOC (pH 7.4): 3710.80
Polar Surface Area: 75 Å2
Polarizability: 33.3±0.5 10-24cm3
Surface Tension: 54.0±3.0 dyne/cm
Molar Volume: 242.8±3.0 cm3

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