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1-Benzyl-4-methyl-3-propyl-2,6-piperidinedione
CCCC1C(CC(=O)N(C1=O)Cc2ccccc2)C
InChI=1S/C16H21NO2/c1-3-7-14-12(2)10-15(18)17(16(14)19)11-13-8-5-4-6-9-13/h4-6,8-9,12,14H,3,7,10-11H2,1-2H3
ULPFUSVHWSEKAW-UHFFFAOYSA-N
CSID:2940171, http://www.chemspider.com/Chemical-Structure.2940171.html (accessed 20:31, Apr 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) = 2.90 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 449.55 (Adapted Stein & Brown method) Melting Pt (deg C): 189.03 (Mean or Weighted MP) VP(mm Hg,25 deg C): 9.66E-009 (Modified Grain method) Subcooled liquid VP: 5.04E-007 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): 70.67 log Kow used: 2.90 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 19.118 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Imides Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.85E-008 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 4.665E-011 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.90 (KowWin est) Log Kaw used: -6.121 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 9.021 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7522 Biowin2 (Non-Linear Model) : 0.7549 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.6480 (weeks-months) Biowin4 (Primary Survey Model) : 3.4784 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.0702 Biowin6 (MITI Non-Linear Model): 0.0263 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.4215 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): 6.72E-005 Pa (5.04E-007 mm Hg) Log Koa (Koawin est ): 9.021 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.0446 Octanol/air (Koa) model: 0.000258 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.617 Mackay model : 0.781 Octanol/air (Koa) model: 0.0202 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 62.2085 E-12 cm3/molecule-sec Half-Life = 0.172 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 2.063 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.699 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 5389 Log Koc: 3.732 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 = 1.529 (BCF = 33.84) log Kow used: 2.90 (estimated) Volatilization from Water: Henry LC: 1.85E-008 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 5.097E+004 hours (2124 days) Half-Life from Model Lake : 5.562E+005 hours (2.317E+004 days) Removal In Wastewater Treatment: Total removal: 4.93 percent Total biodegradation: 0.12 percent Total sludge adsorption: 4.81 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 0.116 4.13 1000 Water 17.5 900 1000 Soil 82.1 1.8e+003 1000 Sediment 0.32 8.1e+003 0 Persistence Time: 1.2e+003 hr
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