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3-Hydroxy-2,2,5,5-tetramethyl-1-nitroso-4-imidazolidinone
CC1(C(=O)N(C(N1N=O)(C)C)O)C
InChI=1S/C7H13N3O3/c1-6(2)5(11)9(13)7(3,4)10(6)8-12/h13H,1-4H3
HSYRZAQQWNANDG-UHFFFAOYSA-N
CSID:335538, http://www.chemspider.com/Chemical-Structure.335538.html (accessed 01:43, Jul 4, 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) = 0.70 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 383.00 (Adapted Stein & Brown method) Melting Pt (deg C): 143.72 (Mean or Weighted MP) VP(mm Hg,25 deg C): 3.65E-008 (Modified Grain method) Subcooled liquid VP: 5.81E-007 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): 1.288e+004 log Kow used: 0.70 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1e+006 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 8.95E-012 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 6.980E-013 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 0.70 (KowWin est) Log Kaw used: -9.437 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 10.137 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : -0.2339 Biowin2 (Non-Linear Model) : 0.0017 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.9761 (months ) Biowin4 (Primary Survey Model) : 3.2893 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.0876 Biowin6 (MITI Non-Linear Model): 0.0000 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.1507 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): 7.75E-005 Pa (5.81E-007 mm Hg) Log Koa (Koawin est ): 10.137 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.0387 Octanol/air (Koa) model: 0.00337 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.583 Mackay model : 0.756 Octanol/air (Koa) model: 0.212 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 16.3954 E-12 cm3/molecule-sec Half-Life = 0.652 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 7.829 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.67 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 317.2 Log Koc: 2.501 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: 0.70 (estimated) Volatilization from Water: Henry LC: 8.95E-012 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 8.95E+007 hours (3.729E+006 days) Half-Life from Model Lake : 9.764E+008 hours (4.068E+007 days) Removal In Wastewater Treatment: Total removal: 1.87 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.77 percent Total to Air: 0.00 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.000263 15.7 1000 Water 46.1 1.44e+003 1000 Soil 53.8 2.88e+003 1000 Sediment 0.0941 1.3e+004 0 Persistence Time: 1.23e+003 hr
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