1-Nitroso-2-imidazolidinone
C1CN(C(=O)N1)N=O
InChI=1S/C3H5N3O2/c7-3-4-1-2-6(3)5-8/h1-2H2,(H,4,7)
GDKLCVAXQJFVJV-UHFFFAOYSA-N
CSID:18558, http://www.chemspider.com/Chemical-Structure.18558.html (accessed 08:33, Apr 20, 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) = 0.49 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 239.74 (Adapted Stein & Brown method) Melting Pt (deg C): 69.70 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.0171 (Modified Grain method) Subcooled liquid VP: 0.045 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): 4.006e+004 log Kow used: 0.49 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 4.8599e+005 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 9.59E-011 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 6.464E-008 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 0.49 (KowWin est) Log Kaw used: -8.407 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 8.897 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6928 Biowin2 (Non-Linear Model) : 0.7981 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.9448 (weeks ) Biowin4 (Primary Survey Model) : 3.6817 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4092 Biowin6 (MITI Non-Linear Model): 0.4197 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.5961 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): 6 Pa (0.045 mm Hg) Log Koa (Koawin est ): 8.897 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 5E-007 Octanol/air (Koa) model: 0.000194 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1.81E-005 Mackay model : 4E-005 Octanol/air (Koa) model: 0.0153 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 7.0290 E-12 cm3/molecule-sec Half-Life = 1.522 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 18.260 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 2.9E-005 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 31.34 Log Koc: 1.496 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: 0.49 (estimated) Volatilization from Water: Henry LC: 9.59E-011 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 6.55E+006 hours (2.729E+005 days) Half-Life from Model Lake : 7.145E+007 hours (2.977E+006 days) Removal In Wastewater Treatment: Total removal: 1.86 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 0.00222 36.5 1000 Water 37.4 360 1000 Soil 62.5 720 1000 Sediment 0.0705 3.24e+003 0 Persistence Time: 589 hr
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