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2-(4-Chloro-2-methylphenoxy)-N-cyclopentylacetamide
Cc1cc(ccc1OCC(=O)NC2CCCC2)Cl
InChI=1S/C14H18ClNO2/c1-10-8-11(15)6-7-13(10)18-9-14(17)16-12-4-2-3-5-12/h6-8,12H,2-5,9H2,1H3,(H,16,17)
SEGKOQAMTOQPAL-UHFFFAOYSA-N
CSID:761295, http://www.chemspider.com/Chemical-Structure.761295.html (accessed 13:49, 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) = 4.00 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 410.41 (Adapted Stein & Brown method) Melting Pt (deg C): 161.30 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.85E-007 (Modified Grain method) Subcooled liquid VP: 4.64E-006 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): 7.178 log Kow used: 4.00 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 87.62 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 8.42E-010 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 9.080E-009 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.00 (KowWin est) Log Kaw used: -7.463 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 11.463 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8344 Biowin2 (Non-Linear Model) : 0.9375 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.2137 (months ) Biowin4 (Primary Survey Model) : 3.5101 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4505 Biowin6 (MITI Non-Linear Model): 0.2140 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.0287 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): 0.000619 Pa (4.64E-006 mm Hg) Log Koa (Koawin est ): 11.463 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.00485 Octanol/air (Koa) model: 0.0713 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.149 Mackay model : 0.28 Octanol/air (Koa) model: 0.851 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 28.9246 E-12 cm3/molecule-sec Half-Life = 0.370 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 4.437 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.214 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 881.8 Log Koc: 2.945 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 = 2.382 (BCF = 241.1) log Kow used: 4.00 (estimated) Volatilization from Water: Henry LC: 8.42E-010 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.138E+006 hours (4.741E+004 days) Half-Life from Model Lake : 1.241E+007 hours (5.172E+005 days) Removal In Wastewater Treatment: Total removal: 30.06 percent Total biodegradation: 0.32 percent Total sludge adsorption: 29.74 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 0.00467 8.88 1000 Water 8.59 1.44e+003 1000 Soil 88.8 2.88e+003 1000 Sediment 2.58 1.3e+004 0 Persistence Time: 2.88e+003 hr
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