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Validated by Experts, Validated by Users, Non-Validated, Removed by Users, Redirected by Users, Redirect Approved by Experts
19269-85-3 [RN]
cyclotetrasulfur
S4
tetrasulfur
tetrathietane
CHEBI:33401
Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = 0.23 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 572.09 (Adapted Stein & Brown method) Melting Pt (deg C): 246.27 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.56E-012 (Modified Grain method) Subcooled liquid VP: 3.92E-010 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): 5.955e+004 log Kow used: 0.23 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 91242 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-001 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 4.420E-018 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 0.23 (KowWin est) Log Kaw used: 0.755 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): -0.525 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6865 Biowin2 (Non-Linear Model) : 0.7663 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.9158 (weeks ) Biowin4 (Primary Survey Model) : 3.6627 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3306 Biowin6 (MITI Non-Linear Model): 0.2357 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.8361 Ready Biodegradability Prediction: NO Hydrocarbon Biodegradation (BioHCwin v1.01): LOG BioHC Half-Life (days) : 1.5298 BioHC Half-Life (days) : 33.8655 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 5.23E-008 Pa (3.92E-010 mm Hg) Log Koa (Koawin est ): -0.525 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 57.4 Octanol/air (Koa) model: 7.33E-014 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1 Mackay model : 1 Octanol/air (Koa) model: 5.86E-012 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 450.0000 E-12 cm3/molecule-sec Half-Life = 0.024 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 17.114 Min Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 1 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 48.64 Log Koc: 1.687 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: 0.23 (estimated) Volatilization from Water: Henry LC: 0.139 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.16 hours Half-Life from Model Lake : 107.6 hours (4.484 days) Removal In Wastewater Treatment (recommended maximum 95%): Total removal: 98.18 percent Total biodegradation: 0.02 percent Total sludge adsorption: 0.28 percent Total to Air: 97.88 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 1.05 0.57 1000 Water 97.4 360 1000 Soil 1.41 720 1000 Sediment 0.181 3.24e+003 0 Persistence Time: 63.6 hr