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N-(2-Ethoxyphenyl)-4-biphenylcarboxamide
CCOc1ccccc1NC(=O)c2ccc(cc2)c3ccccc3
InChI=1S/C21H19NO2/c1-2-24-20-11-7-6-10-19(20)22-21(23)18-14-12-17(13-15-18)16-8-4-3-5-9-16/h3-15H,2H2,1H3,(H,22,23)
JKQMKDMTSXRKNL-UHFFFAOYSA-N
CSID:689848, http://www.chemspider.com/Chemical-Structure.689848.html (accessed 00:16, Jul 7, 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) = 4.47 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 511.98 (Adapted Stein & Brown method) Melting Pt (deg C): 218.20 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.18E-010 (Modified Grain method) Subcooled liquid VP: 1.36E-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): 1.471 log Kow used: 4.47 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.031971 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 7.37E-012 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 3.350E-011 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.47 (KowWin est) Log Kaw used: -9.521 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 13.991 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 1.0666 Biowin2 (Non-Linear Model) : 0.9947 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.4075 (weeks-months) Biowin4 (Primary Survey Model) : 3.6773 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2464 Biowin6 (MITI Non-Linear Model): 0.0818 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.6298 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): 1.81E-006 Pa (1.36E-008 mm Hg) Log Koa (Koawin est ): 13.991 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.65 Octanol/air (Koa) model: 24 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.984 Mackay model : 0.993 Octanol/air (Koa) model: 0.999 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 23.8978 E-12 cm3/molecule-sec Half-Life = 0.448 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 5.371 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.988 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.838E+004 Log Koc: 4.264 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 = 2.744 (BCF = 554.4) log Kow used: 4.47 (estimated) Volatilization from Water: Henry LC: 7.37E-012 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.415E+008 hours (5.897E+006 days) Half-Life from Model Lake : 1.544E+009 hours (6.433E+007 days) Removal In Wastewater Treatment: Total removal: 54.44 percent Total biodegradation: 0.51 percent Total sludge adsorption: 53.93 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 0.00471 10.7 1000 Water 10.1 900 1000 Soil 82.7 1.8e+003 1000 Sediment 7.11 8.1e+003 0 Persistence Time: 1.96e+003 hr
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