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Methyl (2Z)-amino(imino)acetate
O=C(OC)C(=[N@H])N
InChI=1S/C3H6N2O2/c1-7-3(6)2(4)5/h1H3,(H3,4,5)
NCWIJHRUNYKYFA-UHFFFAOYSA-N
CSID:9346103, http://www.chemspider.com/Chemical-Structure.9346103.html (accessed 14:02, Jun 16, 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) = -0.62 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 183.78 (Adapted Stein & Brown method) Melting Pt (deg C): 19.21 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.803 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 3.884e+005 log Kow used: -0.62 (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: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.08E-008 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.777E-007 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: -0.62 (KowWin est) Log Kaw used: -6.355 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 5.735 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8731 Biowin2 (Non-Linear Model) : 0.9965 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.1138 (weeks ) Biowin4 (Primary Survey Model) : 3.9294 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.7526 Biowin6 (MITI Non-Linear Model): 0.8853 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.9284 Ready Biodegradability Prediction: YES Hydrocarbon Biodegradation (BioHCwin v1.01): Structure incompatible with current estimation method! Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 97.3 Pa (0.73 mm Hg) Log Koa (Koawin est ): 5.735 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 3.08E-008 Octanol/air (Koa) model: 1.33E-007 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1.11E-006 Mackay model : 2.47E-006 Octanol/air (Koa) model: 1.07E-005 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 21.2176 E-12 cm3/molecule-sec Half-Life = 0.504 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 6.049 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 1.79E-006 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 7.616 Log Koc: 0.882 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 6.186E-003 L/mol-sec Kb Half-Life at pH 8: 3.551 years Kb Half-Life at pH 7: 35.505 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 0.500 (BCF = 3.162) log Kow used: -0.62 (estimated) Volatilization from Water: Henry LC: 1.08E-008 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 5.478E+004 hours (2282 days) Half-Life from Model Lake : 5.976E+005 hours (2.49E+004 days) Removal In Wastewater Treatment: Total removal: 1.85 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.76 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 0.218 12.1 1000 Water 40.1 360 1000 Soil 59.6 720 1000 Sediment 0.0736 3.24e+003 0 Persistence Time: 528 hr
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