ChemSpider 2D Image | 2-Methyl-2-(2-pyridinyl)-1,3-propanediyl dibenzenesulfonate | C21H21NO6S2

2-Methyl-2-(2-pyridinyl)-1,3-propanediyl dibenzenesulfonate

  • Molecular FormulaC21H21NO6S2
  • Average mass447.525 Da
  • Monoisotopic mass447.081024 Da
  • ChemSpider ID30652568

More details:

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

1,3-Propanediol, 2-methyl-2-(2-pyridinyl)-, bis(benzenesulfonate) (ester) [ACD/Index Name]
2-Methyl-2-(2-pyridinyl)-1,3-propandiyl-dibenzolsulfonat [German] [ACD/IUPAC Name]
2-Methyl-2-(2-pyridinyl)-1,3-propanediyl dibenzenesulfonate [ACD/IUPAC Name]
Dibenzènesulfonate de 2-méthyl-2-(2-pyridinyl)-1,3-propanediyle [French] [ACD/IUPAC Name]
2-methyl-2-(pyridin-2-yl)propane-1,3-diyl bis(benzenesulfonate)

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

Density: 1.3±0.1 g/cm3
Boiling Point: 635.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 90.5±3.0 kJ/mol
Flash Point: 338.4±31.5 °C
Index of Refraction: 1.595
Molar Refractivity: 113.6±0.4 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 2.59
ACD/LogD (pH 5.5): 3.66
ACD/BCF (pH 5.5): 355.07
ACD/KOC (pH 5.5): 2305.13
ACD/LogD (pH 7.4): 3.68
ACD/BCF (pH 7.4): 367.86
ACD/KOC (pH 7.4): 2388.17
Polar Surface Area: 116 Å2
Polarizability: 45.0±0.5 10-24cm3
Surface Tension: 53.3±3.0 dyne/cm
Molar Volume: 334.4±3.0 cm3

Click to predict properties on the Chemicalize site


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