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- Charge
Oxomethaniminium
C(=[NH2+])=O
InChI=1S/CHNO/c2-1-3/h2H/p+1
OWIKHYCFFJSOEH-UHFFFAOYSA-O
CSID:3735748, http://www.chemspider.com/Chemical-Structure.3735748.html (accessed 22:22, 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) = 0.24 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 258.37 (Adapted Stein & Brown method) Melting Pt (deg C): 80.20 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.00515 (Modified Grain method) Subcooled liquid VP: 0.0173 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): 8.225e+004 log Kow used: 0.24 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 78163 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Isocyanates Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.22E-011 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 3.627E-009 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 0.24 (KowWin est) Log Kaw used: -8.881 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 9.121 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7266 Biowin2 (Non-Linear Model) : 0.9156 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.1019 (weeks ) Biowin4 (Primary Survey Model) : 3.7842 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.5719 Biowin6 (MITI Non-Linear Model): 0.8190 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.3984 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): 2.31 Pa (0.0173 mm Hg) Log Koa (Koawin est ): 9.121 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.3E-006 Octanol/air (Koa) model: 0.000324 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 4.7E-005 Mackay model : 0.000104 Octanol/air (Koa) model: 0.0253 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 0.0000 E-12 cm3/molecule-sec Half-Life = ------- Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 7.55E-005 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.498 Log Koc: 0.176 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: 0.24 (estimated) Volatilization from Water: Henry LC: 3.22E-011 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.207E+007 hours (5.027E+005 days) Half-Life from Model Lake : 1.316E+008 hours (5.484E+006 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 0.000751 1e+005 1000 Water 38.1 360 1000 Soil 61.8 720 1000 Sediment 0.0708 3.24e+003 0 Persistence Time: 585 hr
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