ChemSpider 2D Image | 2,5,8-Trioxa-11-thiatridecan-13-oic acid 11-oxide | C9H18O6S

2,5,8-Trioxa-11-thiatridecan-13-oic acid 11-oxide

  • Molecular FormulaC9H18O6S
  • Average mass254.301 Da
  • Monoisotopic mass254.082413 Da
  • ChemSpider ID50888626

More details:

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

2,5,8-Trioxa-11-thiatridecan-13-oic acid 11-oxide [ACD/IUPAC Name]
2,5,8-Trioxa-11-thiatridecan-13-säure-11-oxid [German] [ACD/IUPAC Name]
Acetic acid, 2-[[2-[2-(2-methoxyethoxy)ethoxy]ethyl]sulfinyl]- [ACD/Index Name]
Acide 11-oxyde de -2,5,8-trioxa-11-thiatridécan-13-oïque [French] [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: 465.8±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 79.7±6.0 kJ/mol
Flash Point: 235.5±27.3 °C
Index of Refraction: 1.505
Molar Refractivity: 59.4±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: -1.93
ACD/LogD (pH 5.5): -3.86
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.97
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 101 Å2
Polarizability: 23.6±0.5 10-24cm3
Surface Tension: 53.6±3.0 dyne/cm
Molar Volume: 200.3±3.0 cm3

Click to predict properties on the Chemicalize site


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