- Charge
4,4-Dimethyl-2-oxomorpholin-4-ium
C[N+]1(CCOC(=O)C1)C
InChI=1S/C6H12NO2/c1-7(2)3-4-9-6(8)5-7/h3-5H2,1-2H3/q+1
PSCQDZVZGLJLNO-UHFFFAOYSA-N
CSID:128503, http://www.chemspider.com/Chemical-Structure.128503.html (accessed 11:17, Mar 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) = -5.11 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 409.09 (Adapted Stein & Brown method) Melting Pt (deg C): 151.36 (Mean or Weighted MP) VP(mm Hg,25 deg C): 2.58E-007 (Modified Grain method) Subcooled liquid VP: 5E-006 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: -5.11 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 20157 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Esters Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 8.74E-014 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 4.419E-014 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: -5.11 (KowWin est) Log Kaw used: -11.447 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 6.337 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8598 Biowin2 (Non-Linear Model) : 0.9947 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.0517 (weeks ) Biowin4 (Primary Survey Model) : 3.8889 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.7194 Biowin6 (MITI Non-Linear Model): 0.9018 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.0510 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): 0.000667 Pa (5E-006 mm Hg) Log Koa (Koawin est ): 6.337 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.0045 Octanol/air (Koa) model: 5.33E-007 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.14 Mackay model : 0.265 Octanol/air (Koa) model: 4.27E-005 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 17.7445 E-12 cm3/molecule-sec Half-Life = 0.603 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 7.233 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.202 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 9.963 Log Koc: 0.998 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: -5.11 (estimated) Volatilization from Water: Henry LC: 8.74E-014 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 7.643E+009 hours (3.185E+008 days) Half-Life from Model Lake : 8.338E+010 hours (3.474E+009 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 2.46e-006 14.5 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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