Try beta.chemspider
- Double-bond stereo
(Methylamino){[(Z)-(2-methyl-1,3-oxathiolan-4-ylidene)amino]oxy}methanone
CC1OC/C(=N/OC(=O)NC)/S1
InChI=1S/C6H10N2O3S/c1-4-10-3-5(12-4)8-11-6(9)7-2/h4H,3H2,1-2H3,(H,7,9)/b8-5-
BHQUYFUCFMPJTA-YVMONPNESA-N
CSID:4590327, http://www.chemspider.com/Chemical-Structure.4590327.html (accessed 23:21, Jun 15, 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) = 0.54 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 273.51 (Adapted Stein & Brown method) Melting Pt (deg C): 66.37 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.00322 (Modified Grain method) Subcooled liquid VP: 0.00787 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): 1.702e+004 log Kow used: 0.54 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1.5905e+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 : 1.04E-011 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 4.735E-008 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 0.54 (KowWin est) Log Kaw used: -9.371 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 9.911 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.3096 Biowin2 (Non-Linear Model) : 0.0422 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.7701 (weeks ) Biowin4 (Primary Survey Model) : 3.5636 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.1807 Biowin6 (MITI Non-Linear Model): 0.0508 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.3391 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): 1.05 Pa (0.00787 mm Hg) Log Koa (Koawin est ): 9.911 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 2.86E-006 Octanol/air (Koa) model: 0.002 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.000103 Mackay model : 0.000229 Octanol/air (Koa) model: 0.138 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 69.1476 E-12 cm3/molecule-sec Half-Life = 0.155 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.856 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.000166 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 10 Log Koc: 1.000 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 1.750E-003 L/mol-sec Kb Half-Life at pH 8: 12.549 years Kb Half-Life at pH 7: 125.485 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 0.500 (BCF = 3.162) log Kow used: 0.54 (estimated) Volatilization from Water: Henry LC: 1.04E-011 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 7.764E+007 hours (3.235E+006 days) Half-Life from Model Lake : 8.47E+008 hours (3.529E+007 days) Removal In Wastewater Treatment: Total removal: 1.86 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.77 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 0.00024 3.71 1000 Water 37.3 360 1000 Soil 62.7 720 1000 Sediment 0.0704 3.24e+003 0 Persistence Time: 590 hr
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