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2-Propenimidate
[O-]C(=N)C=C
InChI=1S/C3H5NO/c1-2-3(4)5/h2H,1H2,(H2,4,5)/p-1
HRPVXLWXLXDGHG-UHFFFAOYSA-M
CSID:10626069, http://www.chemspider.com/Chemical-Structure.10626069.html (accessed 22:23, Apr 28, 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) = 0.69 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 173.31 (Adapted Stein & Brown method) Melting Pt (deg C): -17.11 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.358 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 3.45e+004 log Kow used: 0.69 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 64133 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.06E-007 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 9.705E-007 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 0.69 (KowWin est) Log Kaw used: -5.363 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 6.053 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7137 Biowin2 (Non-Linear Model) : 0.8807 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.0421 (weeks ) Biowin4 (Primary Survey Model) : 3.7452 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.5192 Biowin6 (MITI Non-Linear Model): 0.6363 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.6155 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): 42.4 Pa (0.318 mm Hg) Log Koa (Koawin est ): 6.053 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 7.08E-008 Octanol/air (Koa) model: 2.77E-007 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 2.56E-006 Mackay model : 5.66E-006 Octanol/air (Koa) model: 2.22E-005 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 26.4400 E-12 cm3/molecule-sec Half-Life = 0.405 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 4.854 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 0.175000 E-17 cm3/molecule-sec Half-Life = 6.549 Days (at 7E11 mol/cm3) Fraction sorbed to airborne particulates (phi): 4.11E-006 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 2.048 Log Koc: 0.311 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: 0.69 (estimated) Volatilization from Water: Henry LC: 1.06E-007 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 4658 hours (194.1 days) Half-Life from Model Lake : 5.088E+004 hours (2120 days) Removal In Wastewater Treatment: Total removal: 1.87 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.77 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 0.796 9.14 1000 Water 42.8 360 1000 Soil 56.3 720 1000 Sediment 0.0819 3.24e+003 0 Persistence Time: 404 hr
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