N-(2,2,6,6-Tetramethyl-4-piperidinyl)benzamide
CC1(CC(CC(N1)(C)C)NC(=O)c2ccccc2)C
InChI=1S/C16H24N2O/c1-15(2)10-13(11-16(3,4)18-15)17-14(19)12-8-6-5-7-9-12/h5-9,13,18H,10-11H2,1-4H3,(H,17,19)
JEIQZRRXJHEGJN-UHFFFAOYSA-N
CSID:677462, http://www.chemspider.com/Chemical-Structure.677462.html (accessed 05:07, Apr 20, 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) = 2.78 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 415.28 (Adapted Stein & Brown method) Melting Pt (deg C): 173.02 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.03E-007 (Modified Grain method) Subcooled liquid VP: 3.53E-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): 87.74 log Kow used: 2.78 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1960.5 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.52E-012 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 4.022E-010 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.78 (KowWin est) Log Kaw used: -9.842 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 12.622 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7478 Biowin2 (Non-Linear Model) : 0.8123 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.1918 (months ) Biowin4 (Primary Survey Model) : 3.4188 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3273 Biowin6 (MITI Non-Linear Model): 0.0711 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.0008 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): 0.000471 Pa (3.53E-006 mm Hg) Log Koa (Koawin est ): 12.622 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.00637 Octanol/air (Koa) model: 1.03 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.187 Mackay model : 0.338 Octanol/air (Koa) model: 0.988 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 85.8063 E-12 cm3/molecule-sec Half-Life = 0.125 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.496 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.262 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 5204 Log Koc: 3.716 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 = 1.439 (BCF = 27.51) log Kow used: 2.78 (estimated) Volatilization from Water: Henry LC: 3.52E-012 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 2.684E+008 hours (1.118E+007 days) Half-Life from Model Lake : 2.928E+009 hours (1.22E+008 days) Removal In Wastewater Treatment: Total removal: 4.20 percent Total biodegradation: 0.11 percent Total sludge adsorption: 4.09 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 2.43e-005 2.99 1000 Water 12 1.44e+003 1000 Soil 87.8 2.88e+003 1000 Sediment 0.182 1.3e+004 0 Persistence Time: 2.57e+003 hr
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