ChemSpider 2D Image | 1,4-Oxathiepane-6-carboxylic acid 4,4-dioxide | C6H10O5S

1,4-Oxathiepane-6-carboxylic acid 4,4-dioxide

  • Molecular FormulaC6H10O5S
  • Average mass194.206 Da
  • Monoisotopic mass194.024887 Da
  • ChemSpider ID62189973

More details:

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

1,4-Oxathiepan-6-carbonsäure-4,4-dioxid [German] [ACD/IUPAC Name]
1,4-Oxathiepane-6-carboxylic acid 4,4-dioxide [ACD/IUPAC Name]
1,4-Oxathiepane-6-carboxylic acid, 4,4-dioxide [ACD/Index Name]
Acide 4,4-dioxyde de -1,4-oxathiépane-6-carboxylique [French] [ACD/IUPAC Name]
1895436-08-4 [RN]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 500.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 84.2±6.0 kJ/mol
Flash Point: 256.4±30.1 °C
Index of Refraction: 1.508
Molar Refractivity: 40.0±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: -1.69
ACD/LogD (pH 5.5): -3.29
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.75
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 89 Å2
Polarizability: 15.8±0.5 10-24cm3
Surface Tension: 52.5±3.0 dyne/cm
Molar Volume: 134.1±3.0 cm3

Click to predict properties on the Chemicalize site


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