Dimethyltrisulfane
CSSSC
InChI=1S/C2H6S3/c1-3-5-4-2/h1-2H3
YWHLKYXPLRWGSE-UHFFFAOYSA-N
CSID:18219, http://www.chemspider.com/Chemical-Structure.18219.html (accessed 14:42, Mar 29, 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) = 1.87 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 177.28 (Adapted Stein & Brown method) Melting Pt (deg C): -33.90 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.1 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 2390 log Kow used: 1.87 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 3058.3 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.87E-003 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 7.646E-005 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.87 (KowWin est) Log Kaw used: -1.117 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 2.987 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6874 Biowin2 (Non-Linear Model) : 0.7713 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.9202 (weeks ) Biowin4 (Primary Survey Model) : 3.6656 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3374 Biowin6 (MITI Non-Linear Model): 0.2535 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.6769 Ready Biodegradability Prediction: NO Hydrocarbon Biodegradation (BioHCwin v1.01): LOG BioHC Half-Life (days) : 0.4952 BioHC Half-Life (days) : 3.1275 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 133 Pa (1 mm Hg) Log Koa (Koawin est ): 2.987 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 2.25E-008 Octanol/air (Koa) model: 2.38E-010 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 8.13E-007 Mackay model : 1.8E-006 Octanol/air (Koa) model: 1.91E-008 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 452.1216 E-12 cm3/molecule-sec Half-Life = 0.024 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 17.033 Min Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 1.31E-006 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 80.77 Log Koc: 1.907 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 = 0.742 (BCF = 5.526) log Kow used: 1.87 (estimated) Volatilization from Water: Henry LC: 0.00187 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.498 hours Half-Life from Model Lake : 110.6 hours (4.607 days) Removal In Wastewater Treatment: Total removal: 44.07 percent Total biodegradation: 0.06 percent Total sludge adsorption: 1.35 percent Total to Air: 42.66 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.585 0.568 1000 Water 62.6 360 1000 Soil 36.6 720 1000 Sediment 0.194 3.24e+003 0 Persistence Time: 107 hr
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