Try beta.chemspider
(Methylsulfonyl)ethene
CS(=O)(=O)C=C
InChI=1S/C3H6O2S/c1-3-6(2,4)5/h3H,1H2,2H3
WUIJTQZXUURFQU-UHFFFAOYSA-N
CSID:18261, http://www.chemspider.com/Chemical-Structure.18261.html (accessed 15:07, Apr 26, 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) = -0.75 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 164.80 (Adapted Stein & Brown method) Melting Pt (deg C): -9.39 (Mean or Weighted MP) VP(mm Hg,25 deg C): 2 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 4.903e+005 log Kow used: -0.75 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 3.7269e+005 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Vinyl/Allyl Sulfones Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.75E-005 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 5.697E-007 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: -0.75 (KowWin est) Log Kaw used: -3.145 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 2.395 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6970 Biowin2 (Non-Linear Model) : 0.8178 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.9646 (weeks ) Biowin4 (Primary Survey Model) : 3.6946 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4154 Biowin6 (MITI Non-Linear Model): 0.3933 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.5359 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): 243 Pa (1.82 mm Hg) Log Koa (Koawin est ): 2.395 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.24E-008 Octanol/air (Koa) model: 6.1E-011 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 4.47E-007 Mackay model : 9.89E-007 Octanol/air (Koa) model: 4.88E-009 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 27.3608 E-12 cm3/molecule-sec Half-Life = 0.391 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 4.691 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 0.175000 E-17 cm3/molecule-sec Half-Life = 6.549 Days (at 7E11 mol/cm3) Fraction sorbed to airborne particulates (phi): 7.18E-007 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 9.786 Log Koc: 0.991 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: -0.75 (estimated) Volatilization from Water: Henry LC: 1.75E-005 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 35.52 hours (1.48 days) Half-Life from Model Lake : 473.9 hours (19.74 days) Removal In Wastewater Treatment: Total removal: 2.80 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.74 percent Total to Air: 0.96 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 1.54 8.85 1000 Water 48.7 360 1000 Soil 49.7 720 1000 Sediment 0.0892 3.24e+003 0 Persistence Time: 307 hr
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