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N-Cyclododecyl-2-methoxybenzamide
COc1ccccc1C(=O)NC2CCCCCCCCCCC2
InChI=1S/C20H31NO2/c1-23-19-16-12-11-15-18(19)20(22)21-17-13-9-7-5-3-2-4-6-8-10-14-17/h11-12,15-17H,2-10,13-14H2,1H3,(H,21,22)
AUGRLEIBYDRLBA-UHFFFAOYSA-N
CSID:1289505, http://www.chemspider.com/Chemical-Structure.1289505.html (accessed 09:51, May 11, 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) = 6.50 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 468.78 (Adapted Stein & Brown method) Melting Pt (deg C): 188.68 (Mean or Weighted MP) VP(mm Hg,25 deg C): 3.24E-009 (Modified Grain method) Subcooled liquid VP: 1.67E-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): 0.0272 log Kow used: 6.50 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 2.3858 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.86E-009 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 4.976E-008 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 6.50 (KowWin est) Log Kaw used: -6.932 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 13.432 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.9385 Biowin2 (Non-Linear Model) : 0.9689 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.3853 (weeks-months) Biowin4 (Primary Survey Model) : 3.6722 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3522 Biowin6 (MITI Non-Linear Model): 0.1887 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.2958 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): 2.23E-005 Pa (1.67E-007 mm Hg) Log Koa (Koawin est ): 13.432 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.135 Octanol/air (Koa) model: 6.64 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.83 Mackay model : 0.915 Octanol/air (Koa) model: 0.998 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 53.5096 E-12 cm3/molecule-sec Half-Life = 0.200 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 2.399 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.872 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 9363 Log Koc: 3.971 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 = 4.306 (BCF = 2.022e+004) log Kow used: 6.50 (estimated) Volatilization from Water: Henry LC: 2.86E-009 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 3.648E+005 hours (1.52E+004 days) Half-Life from Model Lake : 3.979E+006 hours (1.658E+005 days) Removal In Wastewater Treatment: Total removal: 93.43 percent Total biodegradation: 0.78 percent Total sludge adsorption: 92.66 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 0.0346 4.8 1000 Water 2.41 900 1000 Soil 37.5 1.8e+003 1000 Sediment 60.1 8.1e+003 0 Persistence Time: 3.29e+003 hr
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