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N-(3-Chlorophenyl)tetradecanamide
CCCCCCCCCCCCCC(=O)Nc1cccc(c1)Cl
InChI=1S/C20H32ClNO/c1-2-3-4-5-6-7-8-9-10-11-12-16-20(23)22-19-15-13-14-18(21)17-19/h13-15,17H,2-12,16H2,1H3,(H,22,23)
SZENGMYKINJTRD-UHFFFAOYSA-N
CSID:10155819, http://www.chemspider.com/Chemical-Structure.10155819.html (accessed 03:40, Jun 5, 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) = 7.64 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 463.88 (Adapted Stein & Brown method) Melting Pt (deg C): 190.68 (Mean or Weighted MP) VP(mm Hg,25 deg C): 4.07E-009 (Modified Grain method) Subcooled liquid VP: 2.22E-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): 0.002199 log Kow used: 7.64 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.0013604 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.37E-007 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 8.230E-007 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 7.64 (KowWin est) Log Kaw used: -5.252 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 12.892 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7228 Biowin2 (Non-Linear Model) : 0.6747 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.4899 (weeks-months) Biowin4 (Primary Survey Model) : 3.6693 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4659 Biowin6 (MITI Non-Linear Model): 0.2871 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.6012 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): 2.96E-005 Pa (2.22E-007 mm Hg) Log Koa (Koawin est ): 12.892 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.101 Octanol/air (Koa) model: 1.91 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.785 Mackay model : 0.89 Octanol/air (Koa) model: 0.994 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 28.1101 E-12 cm3/molecule-sec Half-Life = 0.381 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 4.566 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.838 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.002E+005 Log Koc: 5.001 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 = 2.437 (BCF = 273.4) log Kow used: 7.64 (estimated) Volatilization from Water: Henry LC: 1.37E-007 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 7858 hours (327.4 days) Half-Life from Model Lake : 8.588E+004 hours (3578 days) Removal In Wastewater Treatment: Total removal: 93.99 percent Total biodegradation: 0.78 percent Total sludge adsorption: 93.21 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 0.0878 9.13 1000 Water 1.86 900 1000 Soil 31.8 1.8e+003 1000 Sediment 66.2 8.1e+003 0 Persistence Time: 3.32e+003 hr
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