1,3-Allenedithione
C(=C=S)=C=S
InChI=1S/C3S2/c4-2-1-3-5
RMCQREAPGZPWGK-UHFFFAOYSA-N
CSID:9237470, http://www.chemspider.com/Chemical-Structure.9237470.html (accessed 03:42, Dec 4, 2023)
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) = 1.38 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): -1.89 (Adapted Stein & Brown method) Melting Pt (deg C): -112.68 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.98E+003 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 7748 log Kow used: 1.38 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 14324 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : Incomplete Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.293E-002 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Can Not Estimate (can not calculate HenryLC) Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6999 Biowin2 (Non-Linear Model) : 0.8301 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.9778 (weeks ) Biowin4 (Primary Survey Model) : 3.7032 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4142 Biowin6 (MITI Non-Linear Model): 0.4096 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.8361 Ready Biodegradability Prediction: NO Hydrocarbon Biodegradation (BioHCwin v1.01): Structure incompatible with current estimation method! Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 2.6E+005 Pa (1.95E+003 mm Hg) Log Koa (): not available Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.15E-011 Octanol/air (Koa) model: not available Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 4.17E-010 Mackay model : 9.23E-010 Octanol/air (Koa) model: not available Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 110.0000 E-12 cm3/molecule-sec Half-Life = 0.097 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.167 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 0.015000 E-17 cm3/molecule-sec Half-Life = 76.400 Days (at 7E11 mol/cm3) Fraction sorbed to airborne particulates (phi): 6.7E-010 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1 Log Koc: 0.000 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 = 0.362 (BCF = 2.304) log Kow used: 1.38 (estimated) Volatilization from Water: Henry LC: 0.0129 atm-m3/mole (calculated from VP/WS) Half-Life from Model River: 1.067 hours Half-Life from Model Lake : 95.55 hours (3.981 days) Removal In Wastewater Treatment: Total removal: 92.90 percent Total biodegradation: 0.02 percent Total sludge adsorption: 0.41 percent Total to Air: 92.46 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 4 2.33 1000 Water 92.9 360 1000 Soil 2.94 720 1000 Sediment 0.208 3.24e+003 0 Persistence Time: 66.5 hr
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