ChemSpider 2D Image | 2-(Isobutyryloxy)-4-methyl-3-(undecanoyloxy)pentanoic acid (non-preferred name) | C21H38O6

2-(Isobutyryloxy)-4-methyl-3-(undecanoyloxy)pentanoic acid (non-preferred name)

  • Molecular FormulaC21H38O6
  • Average mass386.523 Da
  • Monoisotopic mass386.266846 Da
  • ChemSpider ID90615768

More details:

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

2-(Isobutyryloxy)-4-methyl-3-(undecanoyloxy)pentanoic acid (non-preferred name) [ACD/IUPAC Name]
2-(Isobutyryloxy)-4-methyl-3-(undecanoyloxy)pentansäure (non-preferred name) [German] [ACD/IUPAC Name]
Acide 2-(isobutyryloxy)-4-méthyl-3-(undecanoyloxy)pentanoïque (non-preferred name) [French] [ACD/IUPAC Name]
4-Methyl-2-(2-methylpropanoyloxy)-3-undecanoyloxypentanoic acid
Compound NP-024360

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

Density: 1.0±0.1 g/cm3
Boiling Point: 488.8±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 82.7±6.0 kJ/mol
Flash Point: 156.2±19.4 °C
Index of Refraction: 1.464
Molar Refractivity: 104.3±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 1
ACD/LogP: 7.13
ACD/LogD (pH 5.5): 3.08
ACD/BCF (pH 5.5): 21.23
ACD/KOC (pH 5.5): 36.27
ACD/LogD (pH 7.4): 2.62
ACD/BCF (pH 7.4): 7.35
ACD/KOC (pH 7.4): 12.56
Polar Surface Area: 90 Å2
Polarizability: 41.3±0.5 10-24cm3
Surface Tension: 36.3±3.0 dyne/cm
Molar Volume: 378.3±3.0 cm3

Click to predict properties on the Chemicalize site


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