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Dimethylpentasulfane
CSSSSSC
InChI=1S/C2H6S5/c1-3-5-7-6-4-2/h1-2H3
HFHOSCCMQJJVKR-UHFFFAOYSA-N
CSID:73788, http://www.chemspider.com/Chemical-Structure.73788.html (accessed 15:27, Jun 16, 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): 282.34 (Adapted Stein & Brown method) Melting Pt (deg C): 21.15 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.00496 (Modified Grain method) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 1230 log Kow used: 1.87 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 2919.6 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 4.46E-003 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.010E-006 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.87 (KowWin est) Log Kaw used: -0.739 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 2.609 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6569 Biowin2 (Non-Linear Model) : 0.5758 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.7785 (weeks ) Biowin4 (Primary Survey Model) : 3.5731 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.1466 Biowin6 (MITI Non-Linear Model): 0.0506 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.6769 Ready Biodegradability Prediction: NO Hydrocarbon Biodegradation (BioHCwin v1.01): LOG BioHC Half-Life (days) : 0.6280 BioHC Half-Life (days) : 4.2462 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 0.661 Pa (0.00496 mm Hg) Log Koa (Koawin est ): 2.609 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 4.54E-006 Octanol/air (Koa) model: 9.98E-011 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.000164 Mackay model : 0.000363 Octanol/air (Koa) model: 7.98E-009 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 677.1216 E-12 cm3/molecule-sec Half-Life = 0.016 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 11.373 Min Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.000263 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 274.7 Log Koc: 2.439 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: 0.00446 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.589 hours Half-Life from Model Lake : 133 hours (5.543 days) Removal In Wastewater Treatment: Total removal: 64.20 percent Total biodegradation: 0.05 percent Total sludge adsorption: 1.01 percent Total to Air: 63.14 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.524 0.379 1000 Water 77.2 360 1000 Soil 22.1 720 1000 Sediment 0.239 3.24e+003 0 Persistence Time: 82.6 hr
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