ChemSpider 2D Image | 4-(2-Methoxyethyl)phenyl 2,3-dihydro-1,4-benzodioxine-6-sulfonate | C17H18O6S

4-(2-Methoxyethyl)phenyl 2,3-dihydro-1,4-benzodioxine-6-sulfonate

  • Molecular FormulaC17H18O6S
  • Average mass350.386 Da
  • Monoisotopic mass350.082397 Da
  • ChemSpider ID22766881

More details:

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

1,4-Benzodioxin-6-sulfonic acid, 2,3-dihydro-, 4-(2-methoxyethyl)phenyl ester [ACD/Index Name]
2,3-Dihydro-1,4-benzodioxine-6-sulfonate de 4-(2-méthoxyéthyl)phényle [French] [ACD/IUPAC Name]
4-(2-Methoxyethyl)phenyl 2,3-dihydro-1,4-benzodioxine-6-sulfonate [ACD/IUPAC Name]
4-(2-Methoxyethyl)phenyl-2,3-dihydro-1,4-benzodioxin-6-sulfonat [German] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 490.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 72.8±3.0 kJ/mol
Flash Point: 250.3±28.7 °C
Index of Refraction: 1.574
Molar Refractivity: 88.3±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.69
ACD/LogD (pH 5.5): 3.18
ACD/BCF (pH 5.5): 155.09
ACD/KOC (pH 5.5): 1287.13
ACD/LogD (pH 7.4): 3.18
ACD/BCF (pH 7.4): 155.09
ACD/KOC (pH 7.4): 1287.13
Polar Surface Area: 79 Å2
Polarizability: 35.0±0.5 10-24cm3
Surface Tension: 47.8±3.0 dyne/cm
Molar Volume: 267.7±3.0 cm3

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