ChemSpider 2D Image | 3-Methoxyphenyl 3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonate | C16H16O6S

3-Methoxyphenyl 3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonate

  • Molecular FormulaC16H16O6S
  • Average mass336.360 Da
  • Monoisotopic mass336.066772 Da
  • ChemSpider ID22041205

More details:

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

2H-1,5-Benzodioxepin-7-sulfonic acid, 3,4-dihydro-, 3-methoxyphenyl ester [ACD/Index Name]
3,4-Dihydro-2H-1,5-benzodioxépine-7-sulfonate de 3-méthoxyphényle [French] [ACD/IUPAC Name]
3-Methoxyphenyl 3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonate [ACD/IUPAC Name]
3-Methoxyphenyl-3,4-dihydro-2H-1,5-benzodioxepin-7-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: 498.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 73.7±3.0 kJ/mol
Flash Point: 255.2±28.7 °C
Index of Refraction: 1.574
Molar Refractivity: 83.7±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.08
ACD/LogD (pH 5.5): 3.35
ACD/BCF (pH 5.5): 205.81
ACD/KOC (pH 5.5): 1576.13
ACD/LogD (pH 7.4): 3.35
ACD/BCF (pH 7.4): 205.81
ACD/KOC (pH 7.4): 1576.13
Polar Surface Area: 79 Å2
Polarizability: 33.2±0.5 10-24cm3
Surface Tension: 46.9±3.0 dyne/cm
Molar Volume: 253.8±3.0 cm3

Click to predict properties on the Chemicalize site


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