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- Double-bond stereo
(1E)-N-Hydroxy-2-methyl-1-butanimine
CCC(C)/C=N/O
InChI=1S/C5H11NO/c1-3-5(2)4-6-7/h4-5,7H,3H2,1-2H3/b6-4+
SEWWFHKIKWFJNV-GQCTYLIASA-N
CSID:4515321, http://www.chemspider.com/Chemical-Structure.4515321.html (accessed 00:05, Apr 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) = 1.19 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 171.52 (Adapted Stein & Brown method) Melting Pt (deg C): -48.64 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.397 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 1.109e+004 log Kow used: 1.19 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 2305.5 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.37E-005 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 4.764E-006 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.19 (KowWin est) Log Kaw used: -3.252 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 4.442 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6994 Biowin2 (Non-Linear Model) : 0.8281 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.9756 (weeks ) Biowin4 (Primary Survey Model) : 3.7018 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3601 Biowin6 (MITI Non-Linear Model): 0.4686 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.3712 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): 47.1 Pa (0.353 mm Hg) Log Koa (Koawin est ): 4.442 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 6.37E-008 Octanol/air (Koa) model: 6.79E-009 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 2.3E-006 Mackay model : 5.1E-006 Octanol/air (Koa) model: 5.43E-007 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 6.8046 E-12 cm3/molecule-sec Half-Life = 1.572 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 18.862 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 3.7E-006 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 241.3 Log Koc: 2.382 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 = 0.219 (BCF = 1.657) log Kow used: 1.19 (estimated) Volatilization from Water: Henry LC: 1.37E-005 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 44.01 hours (1.834 days) Half-Life from Model Lake : 564.4 hours (23.52 days) Removal In Wastewater Treatment: Total removal: 2.66 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.80 percent Total to Air: 0.76 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 3.88 37.7 1000 Water 41.4 360 1000 Soil 54.6 720 1000 Sediment 0.0869 3.24e+003 0 Persistence Time: 352 hr
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