2-(7,7-Dioxido-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-ylidene)-1,1-dimethylhydrazine
O=S2(=O)c1sccc1C(=NN(C)C)CC2 CopyCopied
InChI=1S/C9H12N2O2S2/c1-11(2)10-8-4-6-15(12,13)9-7(8)3-5-14-9/h3,5H,4,6H2,1-2H3 CopyCopied
KLLSAZKFESVSLR-UHFFFAOYSA-N CopyCopied
Predicted data is generated using the ACD/Labs’ ACD/PhysChem Suite, for more information see their website.
Predicted data is generated using the US Environmental Protection Agency’s EPISuite™, for more information see their website.
Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = 1.05 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 363.82 (Adapted Stein & Brown method) Melting Pt (deg C): 129.96 (Mean or Weighted MP) VP(mm Hg,25 deg C): 5.51E-006 (Modified Grain method) Subcooled liquid VP: 6.19E-005 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): 3216 log Kow used: 1.05 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 44699 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Hydrazines Thiophenes Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.64E-010 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 5.508E-010 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.05 (KowWin est) Log Kaw used: -7.967 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 9.017 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6312 Biowin2 (Non-Linear Model) : 0.3868 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.6592 (weeks-months) Biowin4 (Primary Survey Model) : 3.4952 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.0420 Biowin6 (MITI Non-Linear Model): 0.0224 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.2461 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): 0.00825 Pa (6.19E-005 mm Hg) Log Koa (Koawin est ): 9.017 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.000363 Octanol/air (Koa) model: 0.000255 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.013 Mackay model : 0.0283 Octanol/air (Koa) model: 0.02 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 17.3923 E-12 cm3/molecule-sec Half-Life = 0.615 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 7.380 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.0206 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1274 Log Koc: 3.105 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 = 0.110 (BCF = 1.287) log Kow used: 1.05 (estimated) Volatilization from Water: Henry LC: 2.64E-010 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 3.467E+006 hours (1.444E+005 days) Half-Life from Model Lake : 3.782E+007 hours (1.576E+006 days) Removal In Wastewater Treatment: Total removal: 1.89 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.80 percent Total to Air: 0.00 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.00342 14.8 1000 Water 40.1 900 1000 Soil 59.8 1.8e+003 1000 Sediment 0.0856 8.1e+003 0 Persistence Time: 1.06e+003 hr
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