2-Methyl-N-(2,2,6,6-tetramethyl-4-piperidinyl)benzamide
Cc1ccccc1C(=O)NC2CC(NC(C2)(C)C)(C)C
InChI=1S/C17H26N2O/c1-12-8-6-7-9-14(12)15(20)18-13-10-16(2,3)19-17(4,5)11-13/h6-9,13,19H,10-11H2,1-5H3,(H,18,20)
CTOSAFSGMPWCEW-UHFFFAOYSA-N
CSID:566158, http://www.chemspider.com/Chemical-Structure.566158.html (accessed 02:16, Apr 18, 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) = 3.33 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 426.88 (Adapted Stein & Brown method) Melting Pt (deg C): 178.44 (Mean or Weighted MP) VP(mm Hg,25 deg C): 4.65E-008 (Modified Grain method) Subcooled liquid VP: 1.83E-006 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): 24.92 log Kow used: 3.33 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 616.29 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.88E-012 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 6.737E-010 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.33 (KowWin est) Log Kaw used: -9.800 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 13.130 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6677 Biowin2 (Non-Linear Model) : 0.5110 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.0639 (months ) Biowin4 (Primary Survey Model) : 3.3251 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3188 Biowin6 (MITI Non-Linear Model): 0.0580 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.4953 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): 0.000244 Pa (1.83E-006 mm Hg) Log Koa (Koawin est ): 13.130 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.0123 Octanol/air (Koa) model: 3.31 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.308 Mackay model : 0.496 Octanol/air (Koa) model: 0.996 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 88.8051 E-12 cm3/molecule-sec Half-Life = 0.120 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.445 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.402 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 8604 Log Koc: 3.935 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 = 1.861 (BCF = 72.59) log Kow used: 3.33 (estimated) Volatilization from Water: Henry LC: 3.88E-012 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 2.5E+008 hours (1.042E+007 days) Half-Life from Model Lake : 2.727E+009 hours (1.136E+008 days) Removal In Wastewater Treatment: Total removal: 9.71 percent Total biodegradation: 0.16 percent Total sludge adsorption: 9.55 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 3.01e-005 2.89 1000 Water 9.56 1.44e+003 1000 Soil 89.9 2.88e+003 1000 Sediment 0.537 1.3e+004 0 Persistence Time: 2.79e+003 hr
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