ChemSpider 2D Image | (5-Ethyl-2,2-dimethyl-1,3-dioxan-5-yl)methyl 4-methylbenzenesulfonate | C16H24O5S

(5-Ethyl-2,2-dimethyl-1,3-dioxan-5-yl)methyl 4-methylbenzenesulfonate

  • Molecular FormulaC16H24O5S
  • Average mass328.424 Da
  • Monoisotopic mass328.134430 Da
  • ChemSpider ID48074622

More details:

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

(5-Ethyl-2,2-dimethyl-1,3-dioxan-5-yl)methyl 4-methylbenzenesulfonate [ACD/IUPAC Name]
(5-Ethyl-2,2-dimethyl-1,3-dioxan-5-yl)methyl-4-methylbenzolsulfonat [German] [ACD/IUPAC Name]
1,3-Dioxane-5-methanol, 5-ethyl-2,2-dimethyl-, 4-methylbenzenesulfonate [ACD/Index Name]
4-Méthylbenzènesulfonate de (5-éthyl-2,2-diméthyl-1,3-dioxan-5-yl)méthyle [French] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 431.5±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 66.1±3.0 kJ/mol
Flash Point: 214.7±23.2 °C
Index of Refraction: 1.493
Molar Refractivity: 85.1±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.76
ACD/LogD (pH 5.5): 2.93
ACD/BCF (pH 5.5): 98.98
ACD/KOC (pH 5.5): 933.33
ACD/LogD (pH 7.4): 2.93
ACD/BCF (pH 7.4): 98.98
ACD/KOC (pH 7.4): 933.33
Polar Surface Area: 70 Å2
Polarizability: 33.7±0.5 10-24cm3
Surface Tension: 33.8±3.0 dyne/cm
Molar Volume: 292.8±3.0 cm3

Click to predict properties on the Chemicalize site


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