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3-[4-(Diphenylmethyl)-1-piperazinyl]propanehydrazide
c1ccc(cc1)C(c2ccccc2)N3CCN(CC3)CCC(=O)NN
InChI=1S/C20H26N4O/c21-22-19(25)11-12-23-13-15-24(16-14-23)20(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10,20H,11-16,21H2,(H,22,25)
MHZCKLOUKARQDP-UHFFFAOYSA-N
CSID:1782345, http://www.chemspider.com/Chemical-Structure.1782345.html (accessed 16:02, May 23, 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) = 1.10 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 519.14 (Adapted Stein & Brown method) Melting Pt (deg C): 221.54 (Mean or Weighted MP) VP(mm Hg,25 deg C): 7.1E-011 (Modified Grain method) Subcooled liquid VP: 8.97E-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): 837.8 log Kow used: 1.10 (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: Aliphatic Amines Hydrazines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 5.82E-020 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 3.774E-014 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.10 (KowWin est) Log Kaw used: -17.624 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 18.724 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.4321 Biowin2 (Non-Linear Model) : 0.0663 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.9856 (months ) Biowin4 (Primary Survey Model) : 2.7932 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.5872 Biowin6 (MITI Non-Linear Model): 0.0000 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -2.2265 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): 1.2E-006 Pa (8.97E-009 mm Hg) Log Koa (Koawin est ): 18.724 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 2.51 Octanol/air (Koa) model: 1.3E+006 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.989 Mackay model : 0.995 Octanol/air (Koa) model: 1 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 242.2678 E-12 cm3/molecule-sec Half-Life = 0.044 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.530 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.992 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 3.926E+005 Log Koc: 5.594 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 = 0.146 (BCF = 1.4) log Kow used: 1.10 (estimated) Volatilization from Water: Henry LC: 5.82E-020 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.851E+016 hours (7.711E+014 days) Half-Life from Model Lake : 2.019E+017 hours (8.412E+015 days) Removal In Wastewater Treatment: Total removal: 1.90 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 8.77e-011 1.06 1000 Water 41.9 1.44e+003 1000 Soil 58 2.88e+003 1000 Sediment 0.0918 1.3e+004 0 Persistence Time: 1.32e+003 hr
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