Try beta.chemspider
1,2,4-Thiadiazinane 1,1-dioxide
C1CS(=O)(=O)NCN1
InChI=1S/C3H8N2O2S/c6-8(7)2-1-4-3-5-8/h4-5H,1-3H2
RJGYJMFQWGPBGM-UHFFFAOYSA-N
CSID:64954, http://www.chemspider.com/Chemical-Structure.64954.html (accessed 18:11, Apr 25, 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) = -1.73 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 276.32 (Adapted Stein & Brown method) Melting Pt (deg C): 92.16 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.00153 (Modified Grain method) Subcooled liquid VP: 0.0068 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): 1e+006 log Kow used: -1.73 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1e+006 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.46E-007 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.741E-010 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: -1.73 (KowWin est) Log Kaw used: -5.224 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 3.494 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8365 Biowin2 (Non-Linear Model) : 0.8989 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.9227 (weeks ) Biowin4 (Primary Survey Model) : 3.6946 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3995 Biowin6 (MITI Non-Linear Model): 0.2728 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.6533 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): 0.907 Pa (0.0068 mm Hg) Log Koa (Koawin est ): 3.494 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 3.31E-006 Octanol/air (Koa) model: 7.66E-010 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.00012 Mackay model : 0.000265 Octanol/air (Koa) model: 6.12E-008 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 163.4265 E-12 cm3/molecule-sec Half-Life = 0.065 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.785 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.000192 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 20.99 Log Koc: 1.322 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: -1.73 (estimated) Volatilization from Water: Henry LC: 1.46E-007 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 4681 hours (195 days) Half-Life from Model Lake : 5.116E+004 hours (2132 days) Removal In Wastewater Treatment: Total removal: 1.85 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.75 percent Total to Air: 0.01 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.219 1.57 1000 Water 47.8 360 1000 Soil 51.9 720 1000 Sediment 0.0874 3.24e+003 0 Persistence Time: 347 hr
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