ChemSpider 2D Image | (4S,5S)-2-sec-Butyl-4-ethyl-5-methyl-1,3-dioxolane | C10H20O2

(4S,5S)-2-sec-Butyl-4-ethyl-5-methyl-1,3-dioxolane

  • Molecular FormulaC10H20O2
  • Average mass172.265 Da
  • Monoisotopic mass172.146332 Da
  • ChemSpider ID35518124

  • defined stereocentres - 2 of 4 defined stereocentres

More details:

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

(4S,5S)-2-sec-Butyl-4-ethyl-5-methyl-1,3-dioxolan [German] [ACD/IUPAC Name]
(4S,5S)-2-sec-Butyl-4-ethyl-5-methyl-1,3-dioxolane [ACD/IUPAC Name]
(4S,5S)-2-sec-Butyl-4-éthyl-5-méthyl-1,3-dioxolane [French] [ACD/IUPAC Name]
1,3-Dioxolane, 4-ethyl-5-methyl-2-(1-methylpropyl)-, (4S,5S)- [ACD/Index Name]
rel-(2R/S,4S,5S)-4-ethyl-5-methyl-2-(1-methylpropyl)-1,3-dioxolane

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

Density: 0.9±0.1 g/cm3
Boiling Point: 198.6±8.0 °C at 760 mmHg
Vapour Pressure: 0.5±0.4 mmHg at 25°C
Enthalpy of Vaporization: 41.7±3.0 kJ/mol
Flash Point: 70.4±12.3 °C
Index of Refraction: 1.417
Molar Refractivity: 49.6±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.69
ACD/LogD (pH 5.5): 2.55
ACD/BCF (pH 5.5): 51.04
ACD/KOC (pH 5.5): 580.92
ACD/LogD (pH 7.4): 2.55
ACD/BCF (pH 7.4): 51.04
ACD/KOC (pH 7.4): 580.92
Polar Surface Area: 18 Å2
Polarizability: 19.7±0.5 10-24cm3
Surface Tension: 23.5±3.0 dyne/cm
Molar Volume: 197.0±3.0 cm3

Click to predict properties on the Chemicalize site


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