ChemSpider 2D Image | 5-[2,3-Bis(dodecanoyloxy)propoxy]-5-oxopentanoic acid | C32H58O8

5-[2,3-Bis(dodecanoyloxy)propoxy]-5-oxopentanoic acid

  • Molecular FormulaC32H58O8
  • Average mass570.798 Da
  • Monoisotopic mass570.413147 Da
  • ChemSpider ID8005267

More details:






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

5-[2,3-Bis(dodecanoyloxy)propoxy]-5-oxopentanoic acid [ACD/IUPAC Name]
5-[2,3-Bis(dodecanoyloxy)propoxy]-5-oxopentansäure [German] [ACD/IUPAC Name]
Acide 5-[2,3-bis(dodecanoyloxy)propoxy]-5-oxopentanoïque [French] [ACD/IUPAC Name]
Pentanedioic acid, mono[2,3-bis[(1-oxododecyl)oxy]propyl] ester [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.0±0.1 g/cm3
Boiling Point: 625.3±34.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.9 mmHg at 25°C
Enthalpy of Vaporization: 101.0±6.0 kJ/mol
Flash Point: 181.8±19.2 °C
Index of Refraction: 1.471
Molar Refractivity: 157.1±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 32
#Rule of 5 Violations: 2
ACD/LogP: 10.41
ACD/LogD (pH 5.5): 9.42
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1171415.00
ACD/LogD (pH 7.4): 7.62
ACD/BCF (pH 7.4): 79158.51
ACD/KOC (pH 7.4): 18411.60
Polar Surface Area: 116 Å2
Polarizability: 62.3±0.5 10-24cm3
Surface Tension: 38.3±3.0 dyne/cm
Molar Volume: 562.2±3.0 cm3

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