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4-(2-Methoxyphenoxy)-N-(2-methyl-2-propanyl)-1-butanamine
CC(C)(C)NCCCCOc1ccccc1OC
InChI=1S/C15H25NO2/c1-15(2,3)16-11-7-8-12-18-14-10-6-5-9-13(14)17-4/h5-6,9-10,16H,7-8,11-12H2,1-4H3
SYWKFOPJGKQNMA-UHFFFAOYSA-N
CSID:1682838, http://www.chemspider.com/Chemical-Structure.1682838.html (accessed 18:42, Apr 26, 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) = 3.47 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 323.76 (Adapted Stein & Brown method) Melting Pt (deg C): 91.63 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.000125 (Modified Grain method) Subcooled liquid VP: 0.000548 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): 258.4 log Kow used: 3.47 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 55.886 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.33E-008 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.600E-007 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.47 (KowWin est) Log Kaw used: -6.021 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 9.491 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8616 Biowin2 (Non-Linear Model) : 0.9652 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.3398 (weeks-months) Biowin4 (Primary Survey Model) : 3.5291 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.6879 Biowin6 (MITI Non-Linear Model): 0.5756 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.4391 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): 0.0731 Pa (0.000548 mm Hg) Log Koa (Koawin est ): 9.491 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 4.11E-005 Octanol/air (Koa) model: 0.00076 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.00148 Mackay model : 0.00327 Octanol/air (Koa) model: 0.0573 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 106.0583 E-12 cm3/molecule-sec Half-Life = 0.101 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.210 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.00238 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 4196 Log Koc: 3.623 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 = 1.971 (BCF = 93.47) log Kow used: 3.47 (estimated) Volatilization from Water: Henry LC: 2.33E-008 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 3.984E+004 hours (1660 days) Half-Life from Model Lake : 4.348E+005 hours (1.812E+004 days) Removal In Wastewater Treatment: Total removal: 12.37 percent Total biodegradation: 0.18 percent Total sludge adsorption: 12.19 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 0.0655 2.42 1000 Water 15.7 900 1000 Soil 83.2 1.8e+003 1000 Sediment 1.06 8.1e+003 0 Persistence Time: 1.26e+003 hr
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