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- Double-bond stereo
1-[({4-[(Z)-Methoxy-NNO-azoxy]-1-piperazinyl}carbonyl)oxy]-2,5-pyrrolidinedione
O=C2N(OC(=O)N1CCN([N+](\[O-])=N\OC)CC1)C(=O)CC2
InChI=1S/C10H15N5O6/c1-20-11-15(19)13-6-4-12(5-7-13)10(18)21-14-8(16)2-3-9(14)17/h2-7H2,1H3/b15-11-
DKZWRNFXTRZBMD-PTNGSMBKSA-N
CSID:8717693, http://www.chemspider.com/Chemical-Structure.8717693.html (accessed 12:08, Apr 25, 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) = -6.96 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 673.75 (Adapted Stein & Brown method) Melting Pt (deg C): 293.76 (Mean or Weighted MP) VP(mm Hg,25 deg C): 6.74E-019 (Modified Grain method) Subcooled liquid VP: 6.59E-016 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: -6.96 (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: Imides Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.86E-027 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.681E-025 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: -6.96 (KowWin est) Log Kaw used: -25.119 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 18.159 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6036 Biowin2 (Non-Linear Model) : 0.2170 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.5312 (weeks-months) Biowin4 (Primary Survey Model) : 3.4116 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.0776 Biowin6 (MITI Non-Linear Model): 0.0109 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.4013 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): 8.79E-014 Pa (6.59E-016 mm Hg) Log Koa (Koawin est ): 18.159 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 3.41E+007 Octanol/air (Koa) model: 3.54E+005 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1 Mackay model : 1 Octanol/air (Koa) model: 1 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 59.8217 E-12 cm3/molecule-sec Half-Life = 0.179 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 2.146 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 1 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 60.48 Log Koc: 1.782 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 2.448E+003 L/mol-sec Kb Half-Life at pH 8: 4.719 minutes Kb Half-Life at pH 7: 47.189 minutes Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 0.500 (BCF = 3.162) log Kow used: -6.96 (estimated) Volatilization from Water: Henry LC: 1.86E-027 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 5.473E+023 hours (2.28E+022 days) Half-Life from Model Lake : 5.97E+024 hours (2.488E+023 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 7.66e-011 4.29 1000 Water 46.5 900 1000 Soil 53.5 1.8e+003 1000 Sediment 0.0892 8.1e+003 0 Persistence Time: 973 hr
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