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3,4-Dihydro-2H-1,2-thiazine
C\1=C\CCNS/1
InChI=1S/C4H7NS/c1-2-4-6-5-3-1/h2,4-5H,1,3H2
NWWJFMCCTZLKNT-UHFFFAOYSA-N
Date of deprecation: 11:53, May 7, 2024 Reason for deprecation: Deprecate record:
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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) = 0.46 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 169.64 (Adapted Stein & Brown method) Melting Pt (deg C): 20.97 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.59 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 4.675e+004 log Kow used: 0.46 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 9.979e+005 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 5.06E-005 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 4.527E-006 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 0.46 (KowWin est) Log Kaw used: -2.684 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 3.144 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6994 Biowin2 (Non-Linear Model) : 0.8281 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.9756 (weeks ) Biowin4 (Primary Survey Model) : 3.7018 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4630 Biowin6 (MITI Non-Linear Model): 0.5337 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.4490 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): 192 Pa (1.44 mm Hg) Log Koa (Koawin est ): 3.144 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.56E-008 Octanol/air (Koa) model: 3.42E-010 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 5.64E-007 Mackay model : 1.25E-006 Octanol/air (Koa) model: 2.74E-008 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 68.2328 E-12 cm3/molecule-sec Half-Life = 0.157 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.881 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 1.137500 E-17 cm3/molecule-sec Half-Life = 1.007 Days (at 7E11 mol/cm3) Half-Life = 24.179 Hrs Fraction sorbed to airborne particulates (phi): 9.07E-007 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 124.3 Log Koc: 2.094 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: 0.46 (estimated) Volatilization from Water: Henry LC: 5.06E-005 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 12.66 hours Half-Life from Model Lake : 222.5 hours (9.271 days) Removal In Wastewater Treatment: Total removal: 4.46 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.73 percent Total to Air: 2.64 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.831 3.26 1000 Water 48.9 360 1000 Soil 50.2 720 1000 Sediment 0.0919 3.24e+003 0 Persistence Time: 266 hr
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