(Methylsulfonyl)methane
CS(=O)(=O)C
InChI=1S/C2H6O2S/c1-5(2,3)4/h1-2H3
HHVIBTZHLRERCL-UHFFFAOYSA-N
CSID:5978, http://www.chemspider.com/Chemical-Structure.5978.html (accessed 03:27, Apr 20, 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) = -1.11 Log Kow (Exper. database match) = -1.41 Exper. Ref: Hansch,C et al. (1995) Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 144.57 (Adapted Stein & Brown method) Melting Pt (deg C): -20.05 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.00735 (Modified Grain method) MP (exp database): 109 deg C BP (exp database): 238 deg C Subcooled liquid VP: 0.0491 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): 1e+006 log Kow used: -1.41 (expkow database) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1e+006 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 6.24E-006 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 9.103E-010 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: -1.41 (exp database) Log Kaw used: -3.593 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 2.183 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7027 Biowin2 (Non-Linear Model) : 0.8419 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.9912 (weeks ) Biowin4 (Primary Survey Model) : 3.7119 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4329 Biowin6 (MITI Non-Linear Model): 0.4619 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.6769 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): 6.55 Pa (0.0491 mm Hg) Log Koa (Koawin est ): 2.183 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 4.58E-007 Octanol/air (Koa) model: 3.74E-011 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1.66E-005 Mackay model : 3.67E-005 Octanol/air (Koa) model: 2.99E-009 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 2.1216 E-12 cm3/molecule-sec Half-Life = 5.041 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 60.498 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 2.66E-005 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 4.926 Log Koc: 0.693 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: -1.41 (expkow database) Volatilization from Water: Henry LC: 6.24E-006 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 92.02 hours (3.834 days) Half-Life from Model Lake : 1085 hours (45.22 days) Removal In Wastewater Treatment: Total removal: 2.19 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.75 percent Total to Air: 0.35 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 6.54 121 1000 Water 45.9 360 1000 Soil 47.5 720 1000 Sediment 0.084 3.24e+003 0 Persistence Time: 354 hr
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