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4-Chloro-N'-{[4-(2,5-dioxo-1-pyrrolidinyl)butanoyl]oxy}benzenecarboximidamide
c1cc(ccc1C(=NOC(=O)CCCN2C(=O)CCC2=O)N)Cl
InChI=1S/C15H16ClN3O4/c16-11-5-3-10(4-6-11)15(17)18-23-14(22)2-1-9-19-12(20)7-8-13(19)21/h3-6H,1-2,7-9H2,(H2,17,18)
WITPFBUZIMGJKO-UHFFFAOYSA-N
CSID:1659563, http://www.chemspider.com/Chemical-Structure.1659563.html (accessed 09:49, Jul 6, 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) = 0.54 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 532.87 (Adapted Stein & Brown method) Melting Pt (deg C): 227.95 (Mean or Weighted MP) VP(mm Hg,25 deg C): 2.65E-011 (Modified Grain method) Subcooled liquid VP: 4E-009 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): 2559 log Kow used: 0.54 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 2750.5 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Imides Benzyl Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.36E-015 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 4.602E-015 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 0.54 (KowWin est) Log Kaw used: -13.016 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 13.556 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.4043 Biowin2 (Non-Linear Model) : 0.0218 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.2462 (months ) Biowin4 (Primary Survey Model) : 3.1951 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.0660 Biowin6 (MITI Non-Linear Model): 0.0055 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.1100 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): 5.33E-007 Pa (4E-009 mm Hg) Log Koa (Koawin est ): 13.556 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 5.63 Octanol/air (Koa) model: 8.83 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.995 Mackay model : 0.998 Octanol/air (Koa) model: 0.999 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 47.6217 E-12 cm3/molecule-sec Half-Life = 0.225 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 2.695 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.996 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 2427 Log Koc: 3.385 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 3.412E-001 L/mol-sec Kb Half-Life at pH 8: 23.512 days Kb Half-Life at pH 7: 235.116 days Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 0.500 (BCF = 3.162) log Kow used: 0.54 (estimated) Volatilization from Water: Henry LC: 2.36E-015 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 4.559E+011 hours (1.9E+010 days) Half-Life from Model Lake : 4.974E+012 hours (2.072E+011 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 8.9e-006 5.39 1000 Water 47.1 1.44e+003 1000 Soil 52.8 2.88e+003 1000 Sediment 0.0947 1.3e+004 0 Persistence Time: 1.21e+003 hr
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