ChemSpider 2D Image | 1,5-Bis(6-methylheptyl) 2-acetyl-2,4-dideoxy-3-C-{[(6-methylheptyl)oxy]carbonyl}pentarate | C32H58O8

1,5-Bis(6-methylheptyl) 2-acetyl-2,4-dideoxy-3-C-{[(6-methylheptyl)oxy]carbonyl}pentarate

  • Molecular FormulaC32H58O8
  • Average mass570.798 Da
  • Monoisotopic mass570.413147 Da
  • ChemSpider ID67491030

More details:






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

1,5-Bis(6-methylheptyl) 2-acetyl-2,4-dideoxy-3-C-{[(6-methylheptyl)oxy]carbonyl}pentarate [ACD/IUPAC Name]
1,5-Bis(6-methylheptyl)-2-acetyl-2,4-didesoxy-3-C-{[(6-methylheptyl)oxy]carbonyl}pentarat [German] [ACD/IUPAC Name]
2-Acétyl-2,4-didésoxy-3-C-{[(6-méthylheptyl)oxy]carbonyl}pentarate de 1,5-bis(6-méthylheptyle) [French] [ACD/IUPAC Name]
Pentaric acid, 2-acetyl-2,4-dideoxy-3-C-[[(6-methylheptyl)oxy]carbonyl]-, 1,5-bis(6-methylheptyl) ester [ACD/Index Name]
acetyl triisooctyl citrate

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

Density: 1.0±0.1 g/cm3
Boiling Point: 626.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.1 mmHg at 25°C
Enthalpy of Vaporization: 106.2±6.0 kJ/mol
Flash Point: 182.1±23.6 °C
Index of Refraction: 1.469
Molar Refractivity: 157.0±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 27
#Rule of 5 Violations: 2
ACD/LogP: 12.31
ACD/LogD (pH 5.5): 9.52
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 3577324.50
ACD/LogD (pH 7.4): 9.51
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 3549592.75
Polar Surface Area: 116 Å2
Polarizability: 62.2±0.5 10-24cm3
Surface Tension: 36.6±3.0 dyne/cm
Molar Volume: 563.4±3.0 cm3

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