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1,1-Bis(ethylsulfanyl)ethene
CCSC(=C)SCC
InChI=1S/C6H12S2/c1-4-7-6(3)8-5-2/h3-5H2,1-2H3
ICBDGYJCASNCJS-UHFFFAOYSA-N
CSID:476971, http://www.chemspider.com/Chemical-Structure.476971.html (accessed 07:23, May 8, 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) = 3.01 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 193.45 (Adapted Stein & Brown method) Melting Pt (deg C): -31.70 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.5 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 208.4 log Kow used: 3.01 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 796.61 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.39E-004 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 4.681E-004 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.01 (KowWin est) Log Kaw used: -2.245 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 5.255 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6770 Biowin2 (Non-Linear Model) : 0.7116 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.8715 (weeks ) Biowin4 (Primary Survey Model) : 3.6338 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3830 Biowin6 (MITI Non-Linear Model): 0.3100 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.5819 Ready Biodegradability Prediction: NO Hydrocarbon Biodegradation (BioHCwin v1.01): LOG BioHC Half-Life (days) : 0.5483 BioHC Half-Life (days) : 3.5345 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 60.8 Pa (0.456 mm Hg) Log Koa (Koawin est ): 5.255 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 4.93E-008 Octanol/air (Koa) model: 4.42E-008 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1.78E-006 Mackay model : 3.95E-006 Octanol/air (Koa) model: 3.53E-006 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 69.7050 E-12 cm3/molecule-sec Half-Life = 0.153 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.841 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): 2.86E-006 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 445 Log Koc: 2.648 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 = 1.616 (BCF = 41.31) log Kow used: 3.01 (estimated) Volatilization from Water: Henry LC: 0.000139 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 6.372 hours Half-Life from Model Lake : 171.6 hours (7.151 days) Removal In Wastewater Treatment: Total removal: 11.79 percent Total biodegradation: 0.12 percent Total sludge adsorption: 5.44 percent Total to Air: 6.22 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.518 3.6 1000 Water 21.7 360 1000 Soil 77.5 720 1000 Sediment 0.369 3.24e+003 0 Persistence Time: 411 hr
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