1,1'-[Sulfanediylbis(methylene)]dibenzene
c1ccc(cc1)CSCc2ccccc2
InChI=1S/C14H14S/c1-3-7-13(8-4-1)11-15-12-14-9-5-2-6-10-14/h1-10H,11-12H2
LUFPJJNWMYZRQE-UHFFFAOYSA-N
CSID:10407, http://www.chemspider.com/Chemical-Structure.10407.html (accessed 21:09, Mar 28, 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) = 4.33 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 325.99 (Adapted Stein & Brown method) Melting Pt (deg C): 69.15 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.000289 (Modified Grain method) MP (exp database): 49.5 deg C Subcooled liquid VP: 0.000486 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): 7.327 log Kow used: 4.33 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.92993 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 5.12E-006 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.112E-005 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.33 (KowWin est) Log Kaw used: -3.679 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 8.009 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.9017 Biowin2 (Non-Linear Model) : 0.9724 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.7696 (weeks ) Biowin4 (Primary Survey Model) : 3.5483 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.0453 Biowin6 (MITI Non-Linear Model): 0.0624 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.3035 Ready Biodegradability Prediction: NO Hydrocarbon Biodegradation (BioHCwin v1.01): LOG BioHC Half-Life (days) : 1.1629 BioHC Half-Life (days) : 14.5518 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 0.0648 Pa (0.000486 mm Hg) Log Koa (Koawin est ): 8.009 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 4.63E-005 Octanol/air (Koa) model: 2.51E-005 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.00167 Mackay model : 0.00369 Octanol/air (Koa) model: 0.002 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 25.9605 E-12 cm3/molecule-sec Half-Life = 0.412 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 4.944 Hrs Ozone Reaction: No Ozone Reaction Estimation Reaction With Nitrate Radicals May Be Important! Fraction sorbed to airborne particulates (phi): 0.00268 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 3.841E+004 Log Koc: 4.584 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 = 2.638 (BCF = 434.2) log Kow used: 4.33 (estimated) Volatilization from Water: Henry LC: 5.12E-006 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 168.9 hours (7.038 days) Half-Life from Model Lake : 1965 hours (81.89 days) Removal In Wastewater Treatment: Total removal: 46.99 percent Total biodegradation: 0.45 percent Total sludge adsorption: 46.39 percent Total to Air: 0.15 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.849 9.89 1000 Water 22.5 360 1000 Soil 70.7 720 1000 Sediment 5.91 3.24e+003 0 Persistence Time: 492 hr
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