ChemSpider 2D Image | Methyl 12-(1,2,4-trioxolan-3-yl)dodecanoate | C15H28O5

Methyl 12-(1,2,4-trioxolan-3-yl)dodecanoate

  • Molecular FormulaC15H28O5
  • Average mass288.380 Da
  • Monoisotopic mass288.193665 Da
  • ChemSpider ID28691510

More details:

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

1,2,4-Trioxolane-3-dodecanoic acid, methyl ester [ACD/Index Name]
12-(1,2,4-Trioxolan-3-yl)dodécanoate de méthyle [French] [ACD/IUPAC Name]
Methyl 12-(1,2,4-trioxolan-3-yl)dodecanoate [ACD/IUPAC Name]
Methyl-12-(1,2,4-trioxolan-3-yl)dodecanoat [German] [ACD/IUPAC Name]
88568-91-6 [RN]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 349.2±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 59.4±3.0 kJ/mol
Flash Point: 148.5±26.0 °C
Index of Refraction: 1.448
Molar Refractivity: 76.1±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 0
ACD/LogP: 3.50
ACD/LogD (pH 5.5): 3.45
ACD/BCF (pH 5.5): 247.20
ACD/KOC (pH 5.5): 1797.00
ACD/LogD (pH 7.4): 3.45
ACD/BCF (pH 7.4): 247.20
ACD/KOC (pH 7.4): 1797.00
Polar Surface Area: 54 Å2
Polarizability: 30.2±0.5 10-24cm3
Surface Tension: 36.7±3.0 dyne/cm
Molar Volume: 284.5±3.0 cm3

Click to predict properties on the Chemicalize site


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