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N-(2-{2-[(4-Biphenylyloxy)acetyl]hydrazino}-2-oxoethyl)cyclohexanecarboxamide
c1ccc(cc1)c2ccc(cc2)OCC(=O)NNC(=O)CNC(=O)C3CCCCC3
InChI=1S/C23H27N3O4/c27-21(15-24-23(29)19-9-5-2-6-10-19)25-26-22(28)16-30-20-13-11-18(12-14-20)17-7-3-1-4-8-17/h1,3-4,7-8,11-14,19H,2,5-6,9-10,15-16H2,(H,24,29)(H,25,27)(H,26,28)
XFUVUJIOXHUOBK-UHFFFAOYSA-N
CSID:2240881, http://www.chemspider.com/Chemical-Structure.2240881.html (accessed 06:02, Jun 5, 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) = 3.35 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 718.30 (Adapted Stein & Brown method) Melting Pt (deg C): 314.57 (Mean or Weighted MP) VP(mm Hg,25 deg C): 3E-017 (Modified Grain method) Subcooled liquid VP: 5.39E-014 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): 3.678 log Kow used: 3.35 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 6907.3 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Hydrazines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 6.83E-018 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 4.395E-018 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.35 (KowWin est) Log Kaw used: -15.554 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 18.904 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 1.0227 Biowin2 (Non-Linear Model) : 0.9808 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.2039 (months ) Biowin4 (Primary Survey Model) : 3.5444 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.2733 Biowin6 (MITI Non-Linear Model): 0.0000 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.7031 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): 7.19E-012 Pa (5.39E-014 mm Hg) Log Koa (Koawin est ): 18.904 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 4.17E+005 Octanol/air (Koa) model: 1.97E+006 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 = 57.7961 E-12 cm3/molecule-sec Half-Life = 0.185 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 2.221 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 : 1.01E+006 Log Koc: 6.004 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 = 1.880 (BCF = 75.86) log Kow used: 3.35 (estimated) Volatilization from Water: Henry LC: 6.83E-018 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.735E+014 hours (7.228E+012 days) Half-Life from Model Lake : 1.892E+015 hours (7.885E+013 days) Removal In Wastewater Treatment: Total removal: 10.04 percent Total biodegradation: 0.16 percent Total sludge adsorption: 9.88 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 0.00135 4.44 1000 Water 9.57 1.44e+003 1000 Soil 89.9 2.88e+003 1000 Sediment 0.564 1.3e+004 0 Persistence Time: 2.77e+003 hr
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