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2-ethyl-1,2-thiazolidine 1,1-dioxide
O=S1(=O)N(CC)CCC1
InChI=1S/C5H11NO2S/c1-2-6-4-3-5-9(6,7)8/h2-5H2,1H3
OPDWKYYREJZWQH-UHFFFAOYSA-N
CSID:9019840, http://www.chemspider.com/Chemical-Structure.9019840.html (accessed 04:29, May 6, 2024)
Validated by Experts, Validated by Users, Non-Validated, Removed by Users
Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00
Predicted data is generated using the US Environmental Protection Agency�s EPISuite
Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = 0.47 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 239.70 (Adapted Stein & Brown method) Melting Pt (deg C): 48.16 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.0276 (Modified Grain method) Subcooled liquid VP: 0.0451 mm Hg (25 deg C, Mod-Grain method) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 3.015e+004 log Kow used: 0.47 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 3.7637e+005 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 7.91E-006 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.797E-007 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 0.47 (KowWin est) Log Kaw used: -3.490 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 3.960 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6765 Biowin2 (Non-Linear Model) : 0.7089 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.8694 (weeks ) Biowin4 (Primary Survey Model) : 3.6325 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3773 Biowin6 (MITI Non-Linear Model): 0.3490 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.4225 Ready Biodegradability Prediction: NO Hydrocarbon Biodegradation (BioHCwin v1.01): Structure incompatible with current estimation method! Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 6.01 Pa (0.0451 mm Hg) Log Koa (Koawin est ): 3.960 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 4.99E-007 Octanol/air (Koa) model: 2.24E-009 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1.8E-005 Mackay model : 3.99E-005 Octanol/air (Koa) model: 1.79E-007 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 22.3305 E-12 cm3/molecule-sec Half-Life = 0.479 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 5.748 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 2.9E-005 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 49 Log Koc: 1.690 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Rate constants can NOT be estimated for this structure! Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 0.500 (BCF = 3.162) log Kow used: 0.47 (estimated) Volatilization from Water: Henry LC: 7.91E-006 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 91.66 hours (3.819 days) Half-Life from Model Lake : 1102 hours (45.93 days) Removal In Wastewater Treatment: Total removal: 2.29 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.76 percent Total to Air: 0.44 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 1.65 11.5 1000 Water 46.8 360 1000 Soil 51.4 720 1000 Sediment 0.0881 3.24e+003 0 Persistence Time: 331 hr
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