4,4,10,10-Tetramethyl-1,3,7,9-tetraazaspiro[5.5]undecane-2,8-dione
CC1(CC2(CC(NC(=O)N2)(C)C)NC(=O)N1)C
InChI=1S/C11H20N4O2/c1-9(2)5-11(14-7(16)12-9)6-10(3,4)13-8(17)15-11/h5-6H2,1-4H3,(H2,12,14,16)(H2,13,15,17)
VQACAWOJMMCZHK-UHFFFAOYSA-N
CSID:91031, http://www.chemspider.com/Chemical-Structure.91031.html (accessed 03:07, Apr 19, 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) = 1.01 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 423.77 (Adapted Stein & Brown method) Melting Pt (deg C): 176.99 (Mean or Weighted MP) VP(mm Hg,25 deg C): 5.77E-008 (Modified Grain method) Subcooled liquid VP: 2.18E-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): 3644 log Kow used: 1.01 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 65399 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 8.92E-018 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 5.007E-012 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.01 (KowWin est) Log Kaw used: -15.438 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 16.448 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.0814 Biowin2 (Non-Linear Model) : 0.0038 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.0318 (months ) Biowin4 (Primary Survey Model) : 3.0407 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2412 Biowin6 (MITI Non-Linear Model): 0.0651 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.7249 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): 0.000291 Pa (2.18E-006 mm Hg) Log Koa (Koawin est ): 16.448 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.0103 Octanol/air (Koa) model: 6.89E+003 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.272 Mackay model : 0.452 Octanol/air (Koa) model: 1 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 7.4952 E-12 cm3/molecule-sec Half-Life = 1.427 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 17.125 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.362 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 214.7 Log Koc: 2.332 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 = 0.081 (BCF = 1.204) log Kow used: 1.01 (estimated) Volatilization from Water: Henry LC: 8.92E-018 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.018E+014 hours (4.24E+012 days) Half-Life from Model Lake : 1.11E+015 hours (4.625E+013 days) Removal In Wastewater Treatment: Total removal: 1.89 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.80 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 1.41e-010 34.2 1000 Water 43.1 1.44e+003 1000 Soil 56.8 2.88e+003 1000 Sediment 0.0924 1.3e+004 0 Persistence Time: 1.29e+003 hr
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