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N-[2-(4-Methoxyphenoxy)ethyl]nonanamide
CCCCCCCCC(=O)NCCOc1ccc(cc1)OC
InChI=1S/C18H29NO3/c1-3-4-5-6-7-8-9-18(20)19-14-15-22-17-12-10-16(21-2)11-13-17/h10-13H,3-9,14-15H2,1-2H3,(H,19,20)
UFUSVQIQERRCNH-UHFFFAOYSA-N
CSID:3282129, http://www.chemspider.com/Chemical-Structure.3282129.html (accessed 03:05, May 6, 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) = 4.55 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 446.08 (Adapted Stein & Brown method) Melting Pt (deg C): 180.76 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.47E-008 (Modified Grain method) Subcooled liquid VP: 6.15E-007 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): 1.431 log Kow used: 4.55 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1.3394 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 6.06E-011 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 4.156E-009 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.55 (KowWin est) Log Kaw used: -8.606 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 13.156 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 1.1836 Biowin2 (Non-Linear Model) : 0.9995 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.6477 (weeks-months) Biowin4 (Primary Survey Model) : 4.0329 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.7930 Biowin6 (MITI Non-Linear Model): 0.8273 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.0004 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): 8.2E-005 Pa (6.15E-007 mm Hg) Log Koa (Koawin est ): 13.156 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.0366 Octanol/air (Koa) model: 3.52 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.569 Mackay model : 0.745 Octanol/air (Koa) model: 0.996 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 57.6518 E-12 cm3/molecule-sec Half-Life = 0.186 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 2.226 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.657 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.324E+004 Log Koc: 4.122 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 = 1.807 (BCF = 64.16) log Kow used: 4.55 (estimated) Volatilization from Water: Henry LC: 6.06E-011 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.694E+007 hours (7.058E+005 days) Half-Life from Model Lake : 1.848E+008 hours (7.7E+006 days) Removal In Wastewater Treatment: Total removal: 58.63 percent Total biodegradation: 0.54 percent Total sludge adsorption: 58.09 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 0.00113 4.45 1000 Water 9.9 900 1000 Soil 81.8 1.8e+003 1000 Sediment 8.32 8.1e+003 0 Persistence Time: 2e+003 hr
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