ChemSpider 2D Image | 3-Acetoxy-2-{[3-acetoxy-2-(acetoxymethyl)-2-(hydroxymethyl)propoxy]methyl}-2-(acetoxymethyl)propyl acetate | C20H32O12

3-Acetoxy-2-{[3-acetoxy-2-(acetoxymethyl)-2-(hydroxymethyl)propoxy]methyl}-2-(acetoxymethyl)propyl acetate

  • Molecular FormulaC20H32O12
  • Average mass464.461 Da
  • Monoisotopic mass464.189362 Da
  • ChemSpider ID21162368

More details:

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

1,3-Propanediol, 2-[[3-(acetyloxy)-2-[(acetyloxy)methyl]-2-(hydroxymethyl)propoxy]methyl]-2-[(acetyloxy)methyl]-, 1,3-diacetate [ACD/Index Name]
266-998-7 [EINECS]
3-Acetoxy-2-{[3-acetoxy-2-(acetoxymethyl)-2-(hydroxymethyl)propoxy]methyl}-2-(acetoxymethyl)propyl acetate [ACD/IUPAC Name]
3-Acetoxy-2-{[3-acetoxy-2-(acetoxymethyl)-2-(hydroxymethyl)propoxy]methyl}-2-(acetoxymethyl)propyl-acetat [German] [ACD/IUPAC Name]
67754-22-7 [RN]
Acétate de 3-acétoxy-2-{[3-acétoxy-2-(acétoxyméthyl)-2-(hydroxyméthyl)propoxy]méthyl}-2-(acétoxyméthyl)propyle [French] [ACD/IUPAC Name]
2-[[3-(acetoxy)-2-[(acetoxy)methyl]-2-(hydroxymethyl)propoxy]methyl]-2-[(acetoxy)methyl]propane-1,3-diyl diacetate
2-{[3-(ACETYLOXY)-2,2-BIS[(ACETYLOXY)METHYL]PROPOXY]METHYL}-2-[(ACETYLOXY)METHYL]-3-HYDROXYPROPYL ACETATE

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

Density: 1.2±0.1 g/cm3
Boiling Point: 533.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 93.1±6.0 kJ/mol
Flash Point: 172.3±23.6 °C
Index of Refraction: 1.474
Molar Refractivity: 106.8±0.3 cm3
#H bond acceptors: 12
#H bond donors: 1
#Freely Rotating Bonds: 20
#Rule of 5 Violations: 1
ACD/LogP: 1.19
ACD/LogD (pH 5.5): 1.46
ACD/BCF (pH 5.5): 7.58
ACD/KOC (pH 5.5): 148.41
ACD/LogD (pH 7.4): 1.46
ACD/BCF (pH 7.4): 7.58
ACD/KOC (pH 7.4): 148.41
Polar Surface Area: 161 Å2
Polarizability: 42.3±0.5 10-24cm3
Surface Tension: 43.9±3.0 dyne/cm
Molar Volume: 380.0±3.0 cm3

Click to predict properties on the Chemicalize site


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