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N-Isobutyl-2-oxo-1-imidazolidinecarboxamide
CC(C)CNC(=O)N1CCNC1=O
InChI=1S/C8H15N3O2/c1-6(2)5-10-8(13)11-4-3-9-7(11)12/h6H,3-5H2,1-2H3,(H,9,12)(H,10,13)
SBYAVOHNDJTVPA-UHFFFAOYSA-N
CSID:32837, http://www.chemspider.com/Chemical-Structure.32837.html (accessed 05:15, Jun 13, 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) = 1.03 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 393.93 (Adapted Stein & Brown method) Melting Pt (deg C): 161.79 (Mean or Weighted MP) VP(mm Hg,25 deg C): 2.42E-006 (Modified Grain method) MP (exp database): 95.5 deg C Subcooled liquid VP: 1.17E-005 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): 6828 log Kow used: 1.03 (estimated) no-melting pt equation used Water Sol (Exper. database match) = 1300 mg/L (20 deg C) Exper. Ref: YALKOWSKY,SH & DANNENFELSER,RM (1992) Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 282.31 mg/L Wat Sol (Exper. database match) = 1300.00 Exper. Ref: YALKOWSKY,SH & DANNENFELSER,RM (1992) ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Imides Neutral Organics Ureas(substituted) Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.21E-012 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 8.638E-011 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.03 (KowWin est) Log Kaw used: -10.044 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 11.074 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6594 Biowin2 (Non-Linear Model) : 0.5935 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.7898 (weeks ) Biowin4 (Primary Survey Model) : 3.5805 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2001 Biowin6 (MITI Non-Linear Model): 0.1213 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.2971 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): 0.00156 Pa (1.17E-005 mm Hg) Log Koa (Koawin est ): 11.074 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.00192 Octanol/air (Koa) model: 0.0291 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.065 Mackay model : 0.133 Octanol/air (Koa) model: 0.7 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 16.4599 E-12 cm3/molecule-sec Half-Life = 0.650 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 7.798 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.0991 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 45.16 Log Koc: 1.655 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 = 0.094 (BCF = 1.243) log Kow used: 1.03 (estimated) Volatilization from Water: Henry LC: 2.21E-012 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 3.606E+008 hours (1.502E+007 days) Half-Life from Model Lake : 3.933E+009 hours (1.639E+008 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 5.01e-005 15.6 1000 Water 34.3 360 1000 Soil 65.6 720 1000 Sediment 0.0692 3.24e+003 0 Persistence Time: 611 hr
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