ChemSpider 2D Image | (2S,4R)-4-Methyl-2-octyl-1,3-dioxolane | C12H24O2

(2S,4R)-4-Methyl-2-octyl-1,3-dioxolane

  • Molecular FormulaC12H24O2
  • Average mass200.318 Da
  • Monoisotopic mass200.177628 Da
  • ChemSpider ID34995672

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S,4R)-4-Methyl-2-octyl-1,3-dioxolan [German] [ACD/IUPAC Name]
(2S,4R)-4-Methyl-2-octyl-1,3-dioxolane [ACD/IUPAC Name]
(2S,4R)-4-Méthyl-2-octyl-1,3-dioxolane [French] [ACD/IUPAC Name]
1,3-Dioxolane, 4-methyl-2-octyl-, (2S,4R)- [ACD/Index Name]
269-947-7 [EINECS]
68391-39-9 [RN]
NONANAL PROPYLENEGLYCOL ACETAL
UNII-28H9SFA7YM

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

Density: 0.9±0.1 g/cm3
Boiling Point: 242.5±8.0 °C at 760 mmHg
Vapour Pressure: 0.1±0.5 mmHg at 25°C
Enthalpy of Vaporization: 46.0±3.0 kJ/mol
Flash Point: 93.3±12.3 °C
Index of Refraction: 1.431
Molar Refractivity: 58.9±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.98
ACD/LogD (pH 5.5): 3.99
ACD/BCF (pH 5.5): 637.57
ACD/KOC (pH 5.5): 3540.63
ACD/LogD (pH 7.4): 3.99
ACD/BCF (pH 7.4): 637.57
ACD/KOC (pH 7.4): 3540.63
Polar Surface Area: 18 Å2
Polarizability: 23.3±0.5 10-24cm3
Surface Tension: 29.8±3.0 dyne/cm
Molar Volume: 227.4±3.0 cm3

Click to predict properties on the Chemicalize site


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