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(2Z)-2-(Hydroxyimino)-N,N,N-trimethylethanaminium
C[N+](C)(C)C/C=N\O
InChI=1S/C5H12N2O/c1-7(2,3)5-4-6-8/h4H,5H2,1-3H3/p+1/b6-4-
OOXACUVRGSKVFV-XQRVVYSFSA-O
CSID:4940022, http://www.chemspider.com/Chemical-Structure.4940022.html (accessed 04:41, Jul 27, 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) = -3.97 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 389.89 (Adapted Stein & Brown method) Melting Pt (deg C): 145.12 (Mean or Weighted MP) VP(mm Hg,25 deg C): 2.22E-008 (Modified Grain method) Subcooled liquid VP: 3.66E-007 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: -3.97 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 4304 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.33E-016 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 3.423E-015 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: -3.97 (KowWin est) Log Kaw used: -13.866 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 9.896 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6918 Biowin2 (Non-Linear Model) : 0.7933 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.9402 (weeks ) Biowin4 (Primary Survey Model) : 3.6787 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3543 Biowin6 (MITI Non-Linear Model): 0.4467 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.0198 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): 4.88E-005 Pa (3.66E-007 mm Hg) Log Koa (Koawin est ): 9.896 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.0615 Octanol/air (Koa) model: 0.00193 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.689 Mackay model : 0.831 Octanol/air (Koa) model: 0.134 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 16.8646 E-12 cm3/molecule-sec Half-Life = 0.634 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 7.611 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.76 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 104.7 Log Koc: 2.020 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: -3.97 (estimated) Volatilization from Water: Henry LC: 3.33E-016 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.903E+012 hours (7.93E+010 days) Half-Life from Model Lake : 2.076E+013 hours (8.651E+011 days) Removal In Wastewater Treatment: Total removal: 1.85 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.75 percent Total to Air: 0.00 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 2.85e-008 15.2 1000 Water 39 360 1000 Soil 60.9 720 1000 Sediment 0.0713 3.24e+003 0 Persistence Time: 579 hr
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