ChemSpider 2D Image | (2R)-2-(Tetrahydro-2H-pyran-2-yloxy)propyl 4-methylbenzenesulfonate | C15H22O5S

(2R)-2-(Tetrahydro-2H-pyran-2-yloxy)propyl 4-methylbenzenesulfonate

  • Molecular FormulaC15H22O5S
  • Average mass314.397 Da
  • Monoisotopic mass314.118805 Da
  • ChemSpider ID73975627

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

(2R)-2-(Tetrahydro-2H-pyran-2-yloxy)propyl 4-methylbenzenesulfonate [ACD/IUPAC Name]
(2R)-2-(Tetrahydro-2H-pyran-2-yloxy)propyl-4-methylbenzolsulfonat [German] [ACD/IUPAC Name]
1-Propanol, 2-[(tetrahydro-2H-pyran-2-yl)oxy]-, 4-methylbenzenesulfonate, (2R)- [ACD/Index Name]
4-Méthylbenzènesulfonate de (2R)-2-(tétrahydro-2H-pyran-2-yloxy)propyle [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 452.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 68.4±3.0 kJ/mol
Flash Point: 227.4±28.7 °C
Index of Refraction: 1.536
Molar Refractivity: 80.4±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.07
ACD/LogD (pH 5.5): 2.52
ACD/BCF (pH 5.5): 48.33
ACD/KOC (pH 5.5): 558.72
ACD/LogD (pH 7.4): 2.52
ACD/BCF (pH 7.4): 48.33
ACD/KOC (pH 7.4): 558.72
Polar Surface Area: 70 Å2
Polarizability: 31.9±0.5 10-24cm3
Surface Tension: 45.5±5.0 dyne/cm
Molar Volume: 257.9±5.0 cm3

Click to predict properties on the Chemicalize site


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