ChemSpider 2D Image | 4,4'-[1,4-Phenylenebis(oxy-5,1-pentanediyl)]di(3,5-heptanedione) | C30H46O6

4,4'-[1,4-Phenylenebis(oxy-5,1-pentanediyl)]di(3,5-heptanedione)

  • Molecular FormulaC30H46O6
  • Average mass502.683 Da
  • Monoisotopic mass502.329437 Da
  • ChemSpider ID2276940

More details:

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

3,5-Heptanedione, 4,4'-[1,4-phenylenebis(oxy-5,1-pentanediyl)]bis- [ACD/Index Name]
4,4'-[1,4-Phenylenbis(oxy-5,1-pentandiyl)]di(3,5-heptandion) [German] [ACD/IUPAC Name]
4,4'-[1,4-Phenylenebis(oxy-5,1-pentanediyl)]di(3,5-heptanedione) [ACD/IUPAC Name]
4,4'-[1,4-Phénylènebis(oxy-5,1-pentanediyl)]di(3,5-heptanedione) [French] [ACD/IUPAC Name]

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

AIDS193551 [DBID]
AIDS-193551 [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: 647.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.5±3.0 kJ/mol
Flash Point: 269.3±31.5 °C
Index of Refraction: 1.490
Molar Refractivity: 141.6±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 22
#Rule of 5 Violations: 2
ACD/LogP: 7.27
ACD/LogD (pH 5.5): 6.11
ACD/BCF (pH 5.5): 26154.09
ACD/KOC (pH 5.5): 50542.50
ACD/LogD (pH 7.4): 6.11
ACD/BCF (pH 7.4): 26100.02
ACD/KOC (pH 7.4): 50438.00
Polar Surface Area: 87 Å2
Polarizability: 56.1±0.5 10-24cm3
Surface Tension: 37.4±3.0 dyne/cm
Molar Volume: 489.8±3.0 cm3

Click to predict properties on the Chemicalize site


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