ChemSpider 2D Image | Isobutyl 8-(3-octyl-2-oxiranyl)octanoate | C22H42O3

Isobutyl 8-(3-octyl-2-oxiranyl)octanoate

  • Molecular FormulaC22H42O3
  • Average mass354.567 Da
  • Monoisotopic mass354.313385 Da
  • ChemSpider ID21229980

More details:

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

252-729-0 [EINECS]
2-Methylpropyl 3-octyl-2-oxiraneoctanoate
2-Oxiraneoctanoic acid, 3-octyl-, 2-methylpropyl ester [ACD/Index Name]
35788-40-0 [RN]
8-(3-Octyl-2-oxiranyl)octanoate d'isobutyle [French] [ACD/IUPAC Name]
Isobutyl 8-(3-octyl-2-oxiranyl)octanoate [ACD/IUPAC Name]
Isobutyl 8-(3-octyloxiran-2-yl)octanoate
Isobutyl-8-(3-octyl-2-oxiranyl)octanoat [German] [ACD/IUPAC Name]
2-METHYLPROPYL 8-(3-OCTYLOXIRAN-2-YL)OCTANOATE
isobutyl 3-octyloxiran-2-octanoate
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 0.9±0.1 g/cm3
Boiling Point: 425.0±18.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.0±3.0 kJ/mol
Flash Point: 161.9±6.1 °C
Index of Refraction: 1.456
Molar Refractivity: 105.3±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 1
ACD/LogP: 8.01
ACD/LogD (pH 5.5): 7.68
ACD/BCF (pH 5.5): 402371.44
ACD/KOC (pH 5.5): 357573.03
ACD/LogD (pH 7.4): 7.68
ACD/BCF (pH 7.4): 402371.44
ACD/KOC (pH 7.4): 357573.03
Polar Surface Area: 39 Å2
Polarizability: 41.8±0.5 10-24cm3
Surface Tension: 33.4±3.0 dyne/cm
Molar Volume: 387.4±3.0 cm3

Click to predict properties on the Chemicalize site


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