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N-Cyclohexyl-2-[2-(2-methyl-2-propanyl)phenoxy]acetamide
CC(C)(C)c1ccccc1OCC(=O)NC2CCCCC2
InChI=1S/C18H27NO2/c1-18(2,3)15-11-7-8-12-16(15)21-13-17(20)19-14-9-5-4-6-10-14/h7-8,11-12,14H,4-6,9-10,13H2,1-3H3,(H,19,20)
LWPUHIMNVOXBAL-UHFFFAOYSA-N
CSID:633886, http://www.chemspider.com/Chemical-Structure.633886.html (accessed 21:57, Apr 28, 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) = 5.21 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 427.60 (Adapted Stein & Brown method) Melting Pt (deg C): 169.64 (Mean or Weighted MP) VP(mm Hg,25 deg C): 5.64E-008 (Modified Grain method) Subcooled liquid VP: 1.76E-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): 0.5009 log Kow used: 5.21 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 13.109 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.53E-009 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 4.288E-008 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.21 (KowWin est) Log Kaw used: -6.841 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 12.051 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7679 Biowin2 (Non-Linear Model) : 0.8924 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.2351 (months ) Biowin4 (Primary Survey Model) : 3.5593 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4352 Biowin6 (MITI Non-Linear Model): 0.2314 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.0431 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): 0.000235 Pa (1.76E-006 mm Hg) Log Koa (Koawin est ): 12.051 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.0128 Octanol/air (Koa) model: 0.276 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.316 Mackay model : 0.506 Octanol/air (Koa) model: 0.957 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 55.1714 E-12 cm3/molecule-sec Half-Life = 0.194 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 2.326 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.411 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 4425 Log Koc: 3.646 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 = 3.313 (BCF = 2056) log Kow used: 5.21 (estimated) Volatilization from Water: Henry LC: 3.53E-009 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 2.822E+005 hours (1.176E+004 days) Half-Life from Model Lake : 3.078E+006 hours (1.283E+005 days) Removal In Wastewater Treatment: Total removal: 83.33 percent Total biodegradation: 0.71 percent Total sludge adsorption: 82.62 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 0.016 4.65 1000 Water 5.69 1.44e+003 1000 Soil 67 2.88e+003 1000 Sediment 27.2 1.3e+004 0 Persistence Time: 3.44e+003 hr
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