ChemSpider 2D Image | 3-Hydroxy-2-[({3-hydroxy-2-[(pentanoyloxy)methyl]propoxy}methoxy)methyl]propyl octanoate | C22H42O8

3-Hydroxy-2-[({3-hydroxy-2-[(pentanoyloxy)methyl]propoxy}methoxy)methyl]propyl octanoate

  • Molecular FormulaC22H42O8
  • Average mass434.564 Da
  • Monoisotopic mass434.287964 Da
  • ChemSpider ID95647480

More details:

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

3-Hydroxy-2-[({3-hydroxy-2-[(pentanoyloxy)methyl]propoxy}methoxy)methyl]propyl octanoate [ACD/IUPAC Name]
3-Hydroxy-2-[({3-hydroxy-2-[(pentanoyloxy)methyl]propoxy}methoxy)methyl]propyl-octanoat [German] [ACD/IUPAC Name]
Octanoate de 3-hydroxy-2-[({3-hydroxy-2-[(pentanoyloxy)méthyl]propoxy}méthoxy)méthyl]propyle [French] [ACD/IUPAC Name]
Octanoic acid, 3-hydroxy-2-[[[3-hydroxy-2-[[(1-oxopentyl)oxy]methyl]propoxy]methoxy]methyl]propyl ester [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 538.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 93.8±6.0 kJ/mol
Flash Point: 170.9±23.6 °C
Index of Refraction: 1.472
Molar Refractivity: 114.0±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 23
#Rule of 5 Violations: 0
ACD/LogP: 4.54
ACD/LogD (pH 5.5): 3.98
ACD/BCF (pH 5.5): 618.77
ACD/KOC (pH 5.5): 3465.60
ACD/LogD (pH 7.4): 3.98
ACD/BCF (pH 7.4): 618.77
ACD/KOC (pH 7.4): 3465.60
Polar Surface Area: 112 Å2
Polarizability: 45.2±0.5 10-24cm3
Surface Tension: 40.1±3.0 dyne/cm
Molar Volume: 407.1±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement