ChemSpider 2D Image | 2,5-Bis[(diethylamino)methyl]-1,6-bis(4-propoxyphenyl)-1,6-hexanedione | C34H52N2O4

2,5-Bis[(diethylamino)methyl]-1,6-bis(4-propoxyphenyl)-1,6-hexanedione

  • Molecular FormulaC34H52N2O4
  • Average mass552.788 Da
  • Monoisotopic mass552.392700 Da
  • ChemSpider ID2357251

More details:

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

1,6-Hexanedione, 2,5-bis[(diethylamino)methyl]-1,6-bis(4-propoxyphenyl)- [ACD/Index Name]
2,5-Bis[(diethylamino)methyl]-1,6-bis(4-propoxyphenyl)-1,6-hexandion [German] [ACD/IUPAC Name]
2,5-Bis[(diethylamino)methyl]-1,6-bis(4-propoxyphenyl)-1,6-hexanedione [ACD/IUPAC Name]
2,5-Bis[(diéthylamino)méthyl]-1,6-bis(4-propoxyphényl)-1,6-hexanedione [French] [ACD/IUPAC Name]
2,5-Bis-diethylaminomethyl-1,6-bis-(4-propoxy-phenyl)-hexane-1,6-dione

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

BAS 00367634 [DBID]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 652.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.1±3.0 kJ/mol
Flash Point: 348.3±31.5 °C
Index of Refraction: 1.524
Molar Refractivity: 165.4±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 21
#Rule of 5 Violations: 2
ACD/LogP: 8.07
ACD/LogD (pH 5.5): 2.78
ACD/BCF (pH 5.5): 7.85
ACD/KOC (pH 5.5): 10.40
ACD/LogD (pH 7.4): 2.95
ACD/BCF (pH 7.4): 11.73
ACD/KOC (pH 7.4): 15.54
Polar Surface Area: 59 Å2
Polarizability: 65.6±0.5 10-24cm3
Surface Tension: 38.7±3.0 dyne/cm
Molar Volume: 540.8±3.0 cm3

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