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1,4-Piperazinediylbis[(4-ethoxyphenyl)methanone]
CCOc1ccc(cc1)C(=O)N2CCN(CC2)C(=O)c3ccc(cc3)OCC
InChI=1S/C22H26N2O4/c1-3-27-19-9-5-17(6-10-19)21(25)23-13-15-24(16-14-23)22(26)18-7-11-20(12-8-18)28-4-2/h5-12H,3-4,13-16H2,1-2H3
ZZHYJJWRFANWIV-UHFFFAOYSA-N
CSID:1026411, http://www.chemspider.com/Chemical-Structure.1026411.html (accessed 13:11, 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) = 2.15 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 528.64 (Adapted Stein & Brown method) Melting Pt (deg C): 225.97 (Mean or Weighted MP) VP(mm Hg,25 deg C): 3.6E-011 (Modified Grain method) Subcooled liquid VP: 5.14E-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): 57.64 log Kow used: 2.15 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 4.7917 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 8.85E-015 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 3.143E-013 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.15 (KowWin est) Log Kaw used: -12.442 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 14.592 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 1.2496 Biowin2 (Non-Linear Model) : 0.9994 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.1293 (months ) Biowin4 (Primary Survey Model) : 3.8610 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4623 Biowin6 (MITI Non-Linear Model): 0.2153 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.2943 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): 6.85E-007 Pa (5.14E-009 mm Hg) Log Koa (Koawin est ): 14.592 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 4.38 Octanol/air (Koa) model: 95.9 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.994 Mackay model : 0.997 Octanol/air (Koa) model: 1 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 100.3932 E-12 cm3/molecule-sec Half-Life = 0.107 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.278 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.995 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 4799 Log Koc: 3.681 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 = 0.953 (BCF = 8.978) log Kow used: 2.15 (estimated) Volatilization from Water: Henry LC: 8.85E-015 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.294E+011 hours (5.391E+009 days) Half-Life from Model Lake : 1.411E+012 hours (5.881E+010 days) Removal In Wastewater Treatment: Total removal: 2.41 percent Total biodegradation: 0.10 percent Total sludge adsorption: 2.31 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 1.53e-005 2.56 1000 Water 20.1 1.44e+003 1000 Soil 79.8 2.88e+003 1000 Sediment 0.0965 1.3e+004 0 Persistence Time: 2.04e+003 hr
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