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N-[2-(4-Chlorophenyl)ethyl]tetradecanamide
CCCCCCCCCCCCCC(=O)NCCc1ccc(cc1)Cl
InChI=1S/C22H36ClNO/c1-2-3-4-5-6-7-8-9-10-11-12-13-22(25)24-19-18-20-14-16-21(23)17-15-20/h14-17H,2-13,18-19H2,1H3,(H,24,25)
NTWWQTCKAHWXAN-UHFFFAOYSA-N
CSID:3395088, http://www.chemspider.com/Chemical-Structure.3395088.html (accessed 21:43, 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) = 8.04 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 487.09 (Adapted Stein & Brown method) Melting Pt (deg C): 206.02 (Mean or Weighted MP) VP(mm Hg,25 deg C): 7.04E-010 (Modified Grain method) Subcooled liquid VP: 5.81E-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): 0.0006738 log Kow used: 8.04 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.00090171 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 5.84E-008 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 5.031E-007 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 8.04 (KowWin est) Log Kaw used: -5.622 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 13.662 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7641 Biowin2 (Non-Linear Model) : 0.7126 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.3531 (weeks-months) Biowin4 (Primary Survey Model) : 3.5603 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3761 Biowin6 (MITI Non-Linear Model): 0.1955 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.6970 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): 7.75E-006 Pa (5.81E-008 mm Hg) Log Koa (Koawin est ): 13.662 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.387 Octanol/air (Koa) model: 11.3 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.933 Mackay model : 0.969 Octanol/air (Koa) model: 0.999 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 32.4056 E-12 cm3/molecule-sec Half-Life = 0.330 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 3.961 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.951 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.532E+006 Log Koc: 6.185 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 = 1.885 (BCF = 76.67) log Kow used: 8.04 (estimated) Volatilization from Water: Henry LC: 5.84E-008 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.918E+004 hours (799.2 days) Half-Life from Model Lake : 2.094E+005 hours (8725 days) Removal In Wastewater Treatment: Total removal: 94.02 percent Total biodegradation: 0.78 percent Total sludge adsorption: 93.24 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 0.0782 7.92 1000 Water 1.83 900 1000 Soil 31.6 1.8e+003 1000 Sediment 66.5 8.1e+003 0 Persistence Time: 3.33e+003 hr
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