1-Methyl-2-methyleneaziridine
CN1CC1=C
InChI=1S/C4H7N/c1-4-3-5(4)2/h1,3H2,2H3
WFNSDYPJGGQENT-UHFFFAOYSA-N
CSID:309665, http://www.chemspider.com/Chemical-Structure.309665.html (accessed 02:37, Mar 29, 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) = 0.34 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 55.81 (Adapted Stein & Brown method) Melting Pt (deg C): -55.69 (Mean or Weighted MP) VP(mm Hg,25 deg C): 233 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 7.121e+005 log Kow used: 0.34 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 3.6097e+005 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-005 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.975E-005 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 0.34 (KowWin est) Log Kaw used: -2.866 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 3.206 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.5094 Biowin2 (Non-Linear Model) : 0.4513 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.7917 (weeks ) Biowin4 (Primary Survey Model) : 3.4600 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4542 Biowin6 (MITI Non-Linear Model): 0.5010 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.5854 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): 3.07E+004 Pa (230 mm Hg) Log Koa (Koawin est ): 3.206 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 9.78E-011 Octanol/air (Koa) model: 3.94E-010 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 3.53E-009 Mackay model : 7.83E-009 Octanol/air (Koa) model: 3.16E-008 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 38.2785 E-12 cm3/molecule-sec Half-Life = 0.279 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 3.353 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 1.137500 E-17 cm3/molecule-sec Half-Life = 1.007 Days (at 7E11 mol/cm3) Half-Life = 24.179 Hrs Fraction sorbed to airborne particulates (phi): 5.68E-009 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 29.94 Log Koc: 1.476 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: 0.34 (estimated) Volatilization from Water: Henry LC: 3.33E-005 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 15.46 hours Half-Life from Model Lake : 238.4 hours (9.934 days) Removal In Wastewater Treatment: Total removal: 3.61 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.74 percent Total to Air: 1.79 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 1.12 5.25 1000 Water 48.4 360 1000 Soil 50.4 720 1000 Sediment 0.0904 3.24e+003 0 Persistence Time: 286 hr
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