Try beta.chemspider
N-(2-Chlorophenyl)-2-(naphtho[2,1-b]furan-1-yl)acetamide
c1ccc2c(c1)ccc3c2c(co3)CC(=O)Nc4ccccc4Cl
InChI=1S/C20H14ClNO2/c21-16-7-3-4-8-17(16)22-19(23)11-14-12-24-18-10-9-13-5-1-2-6-15(13)20(14)18/h1-10,12H,11H2,(H,22,23)
GDNZYNGDPMKXLB-UHFFFAOYSA-N
CSID:724711, http://www.chemspider.com/Chemical-Structure.724711.html (accessed 01:38, Jul 4, 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) = 4.61 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 530.43 (Adapted Stein & Brown method) Melting Pt (deg C): 226.81 (Mean or Weighted MP) VP(mm Hg,25 deg C): 3.16E-011 (Modified Grain method) Subcooled liquid VP: 4.62E-009 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): 0.06766 log Kow used: 4.61 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.04735 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.51E-012 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.064E-010 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.61 (KowWin est) Log Kaw used: -9.843 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 14.453 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6701 Biowin2 (Non-Linear Model) : 0.3760 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.1215 (months ) Biowin4 (Primary Survey Model) : 3.3348 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.1193 Biowin6 (MITI Non-Linear Model): 0.0049 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.3056 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): 6.16E-007 Pa (4.62E-009 mm Hg) Log Koa (Koawin est ): 14.453 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 4.87 Octanol/air (Koa) model: 69.7 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.994 Mackay model : 0.997 Octanol/air (Koa) model: 1 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 19.2349 E-12 cm3/molecule-sec Half-Life = 0.556 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 6.673 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.996 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.85E+005 Log Koc: 5.267 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 = 2.850 (BCF = 707.8) log Kow used: 4.61 (estimated) Volatilization from Water: Henry LC: 3.51E-012 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 3.057E+008 hours (1.274E+007 days) Half-Life from Model Lake : 3.334E+009 hours (1.389E+008 days) Removal In Wastewater Treatment: Total removal: 61.67 percent Total biodegradation: 0.56 percent Total sludge adsorption: 61.10 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 0.00426 13.3 1000 Water 7.47 1.44e+003 1000 Soil 83 2.88e+003 1000 Sediment 9.51 1.3e+004 0 Persistence Time: 3.12e+003 hr
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