ChemSpider 2D Image | 1-Butyryl 5-hexyl 2,4-dideoxy-2-hexyl-3-C-[(hexyloxy)carbonyl]pentarate | C28H50O8

1-Butyryl 5-hexyl 2,4-dideoxy-2-hexyl-3-C-[(hexyloxy)carbonyl]pentarate

  • Molecular FormulaC28H50O8
  • Average mass514.692 Da
  • Monoisotopic mass514.350586 Da
  • ChemSpider ID8303999

More details:

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

1-Butyryl 5-hexyl 2,4-dideoxy-2-hexyl-3-C-[(hexyloxy)carbonyl]pentarate [ACD/IUPAC Name]
1-Butyryl-5-hexyl-2,4-didesoxy-2-hexyl-3-C-[(hexyloxy)carbonyl]pentarat [German] [ACD/IUPAC Name]
2,4-Didésoxy-2-hexyl-3-C-[(hexyloxy)carbonyl]pentarate de 1-butyryle et de 5-hexyle [French] [ACD/IUPAC Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 587.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.7 mmHg at 25°C
Enthalpy of Vaporization: 100.7±6.0 kJ/mol
Flash Point: 176.7±23.6 °C
Index of Refraction: 1.471
Molar Refractivity: 138.6±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 26
#Rule of 5 Violations: 2
ACD/LogP: 9.36
ACD/LogD (pH 5.5): 8.30
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 777716.75
ACD/LogD (pH 7.4): 8.30
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 777610.88
Polar Surface Area: 116 Å2
Polarizability: 54.9±0.5 10-24cm3
Surface Tension: 38.3±3.0 dyne/cm
Molar Volume: 496.2±3.0 cm3

Click to predict properties on the Chemicalize site


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