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1-[5-(2,5-Dichlorophenyl)-2-furyl]-N-methylmethanamine
CNCc1ccc(o1)c2cc(ccc2Cl)Cl
InChI=1S/C12H11Cl2NO/c1-15-7-9-3-5-12(16-9)10-6-8(13)2-4-11(10)14/h2-6,15H,7H2,1H3
QRXLTSBBBBLZAZ-UHFFFAOYSA-N
CSID:2267645, http://www.chemspider.com/Chemical-Structure.2267645.html (accessed 10:54, May 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) = 3.96 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 346.87 (Adapted Stein & Brown method) Melting Pt (deg C): 112.67 (Mean or Weighted MP) VP(mm Hg,25 deg C): 2.14E-005 (Modified Grain method) Subcooled liquid VP: 0.000157 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): 92.85 log Kow used: 3.96 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 88.546 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 5.65E-008 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 7.767E-008 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.96 (KowWin est) Log Kaw used: -5.636 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 9.596 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.4146 Biowin2 (Non-Linear Model) : 0.0279 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.2444 (months ) Biowin4 (Primary Survey Model) : 3.1908 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.0184 Biowin6 (MITI Non-Linear Model): 0.0061 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.3552 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): 0.0209 Pa (0.000157 mm Hg) Log Koa (Koawin est ): 9.596 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.000143 Octanol/air (Koa) model: 0.000968 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.00515 Mackay model : 0.0113 Octanol/air (Koa) model: 0.0719 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 118.6263 E-12 cm3/molecule-sec Half-Life = 0.090 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.082 Hrs Ozone Reaction: No Ozone Reaction Estimation Reaction With Nitrate Radicals May Be Important! Fraction sorbed to airborne particulates (phi): 0.00824 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 2.956E+004 Log Koc: 4.471 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 = 2.348 (BCF = 222.6) log Kow used: 3.96 (estimated) Volatilization from Water: Henry LC: 5.65E-008 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.659E+004 hours (691.1 days) Half-Life from Model Lake : 1.811E+005 hours (7545 days) Removal In Wastewater Treatment: Total removal: 28.27 percent Total biodegradation: 0.31 percent Total sludge adsorption: 27.96 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 0.0492 2.16 1000 Water 12.6 1.44e+003 1000 Soil 83.9 2.88e+003 1000 Sediment 3.43 1.3e+004 0 Persistence Time: 1.81e+003 hr
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