2-[4-(2-Methyl-2-propanyl)phenoxy]-N-(2,2,6,6-tetramethyl-4-piperidinyl)propanamide
CC(C(=O)NC1CC(NC(C1)(C)C)(C)C)Oc2ccc(cc2)C(C)(C)C
InChI=1S/C22H36N2O2/c1-15(26-18-11-9-16(10-12-18)20(2,3)4)19(25)23-17-13-21(5,6)24-22(7,8)14-17/h9-12,15,17,24H,13-14H2,1-8H3,(H,23,25)
JJXZDNJSBJTEEE-UHFFFAOYSA-N
CSID:2233720, http://www.chemspider.com/Chemical-Structure.2233720.html (accessed 20:56, Apr 19, 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) = 4.93 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 478.36 (Adapted Stein & Brown method) Melting Pt (deg C): 202.49 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.28E-009 (Modified Grain method) Subcooled liquid VP: 9.63E-008 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): 0.3269 log Kow used: 4.93 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 38.782 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.87E-012 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.858E-009 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.93 (KowWin est) Log Kaw used: -10.117 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 15.047 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.5200 Biowin2 (Non-Linear Model) : 0.2260 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.6782 (recalcitrant) Biowin4 (Primary Survey Model) : 3.1931 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2349 Biowin6 (MITI Non-Linear Model): 0.0202 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.7639 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): 1.28E-005 Pa (9.63E-008 mm Hg) Log Koa (Koawin est ): 15.047 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.234 Octanol/air (Koa) model: 274 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.894 Mackay model : 0.949 Octanol/air (Koa) model: 1 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 119.7342 E-12 cm3/molecule-sec Half-Life = 0.089 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.072 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.922 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.139E+005 Log Koc: 5.057 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 = 3.099 (BCF = 1257) log Kow used: 4.93 (estimated) Volatilization from Water: Henry LC: 1.87E-012 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 5.945E+008 hours (2.477E+007 days) Half-Life from Model Lake : 6.485E+009 hours (2.702E+008 days) Removal In Wastewater Treatment: Total removal: 75.36 percent Total biodegradation: 0.66 percent Total sludge adsorption: 74.70 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 3.65e-005 2.14 1000 Water 3.02 4.32e+003 1000 Soil 84.4 8.64e+003 1000 Sediment 12.5 3.89e+004 0 Persistence Time: 9.29e+003 hr
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