ChemSpider 2D Image | 6-[3-(4-Chlorophenoxy)propoxy]-1,3-benzoxathiol-2-one | C16H13ClO4S

6-[3-(4-Chlorophenoxy)propoxy]-1,3-benzoxathiol-2-one

  • Molecular FormulaC16H13ClO4S
  • Average mass336.790 Da
  • Monoisotopic mass336.022308 Da
  • ChemSpider ID31110377

More details:

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

1,3-Benzoxathiol-2-one, 6-[3-(4-chlorophenoxy)propoxy]- [ACD/Index Name]
6-[3-(4-Chlorophenoxy)propoxy]-1,3-benzoxathiol-2-one [ACD/IUPAC Name]
6-[3-(4-Chlorophénoxy)propoxy]-1,3-benzoxathiol-2-one [French] [ACD/IUPAC Name]
6-[3-(4-Chlorphenoxy)propoxy]-1,3-benzoxathiol-2-on [German] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 498.4±53.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.7±3.0 kJ/mol
Flash Point: 255.2±30.9 °C
Index of Refraction: 1.628
Molar Refractivity: 86.2±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.06
ACD/LogD (pH 5.5): 4.90
ACD/BCF (pH 5.5): 3098.76
ACD/KOC (pH 5.5): 10979.61
ACD/LogD (pH 7.4): 4.90
ACD/BCF (pH 7.4): 3098.76
ACD/KOC (pH 7.4): 10979.61
Polar Surface Area: 70 Å2
Polarizability: 34.2±0.5 10-24cm3
Surface Tension: 54.6±3.0 dyne/cm
Molar Volume: 242.9±3.0 cm3

Click to predict properties on the Chemicalize site


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