Try beta.chemspider
1-(3,5-Dichloro-2-ethoxyphenyl)-N-(2-furylmethyl)methanamine
CCOc1c(cc(cc1Cl)Cl)CNCc2ccco2
InChI=1S/C14H15Cl2NO2/c1-2-18-14-10(6-11(15)7-13(14)16)8-17-9-12-4-3-5-19-12/h3-7,17H,2,8-9H2,1H3
QORAAVMGHGXZEQ-UHFFFAOYSA-N
CSID:3910529, http://www.chemspider.com/Chemical-Structure.3910529.html (accessed 09:55, 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) = 4.47 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 368.05 (Adapted Stein & Brown method) Melting Pt (deg C): 133.14 (Mean or Weighted MP) VP(mm Hg,25 deg C): 4.03E-006 (Modified Grain method) Subcooled liquid VP: 4.9E-005 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): 18.86 log Kow used: 4.47 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 13.805 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 4.66E-009 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 8.440E-008 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.47 (KowWin est) Log Kaw used: -6.720 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 11.190 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.5255 Biowin2 (Non-Linear Model) : 0.1271 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.0889 (months ) Biowin4 (Primary Survey Model) : 3.2044 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.0395 Biowin6 (MITI Non-Linear Model): 0.0087 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.1586 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): 0.00653 Pa (4.9E-005 mm Hg) Log Koa (Koawin est ): 11.190 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.000459 Octanol/air (Koa) model: 0.038 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.0163 Mackay model : 0.0354 Octanol/air (Koa) model: 0.753 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 189.2561 E-12 cm3/molecule-sec Half-Life = 0.057 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.678 Hrs Ozone Reaction: No Ozone Reaction Estimation Reaction With Nitrate Radicals May Be Important! Fraction sorbed to airborne particulates (phi): 0.0259 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 4.219E+004 Log Koc: 4.625 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 = 2.745 (BCF = 555.6) log Kow used: 4.47 (estimated) Volatilization from Water: Henry LC: 4.66E-009 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 2.177E+005 hours (9070 days) Half-Life from Model Lake : 2.375E+006 hours (9.895E+004 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 0.0132 1.36 1000 Water 9.32 1.44e+003 1000 Soil 82.1 2.88e+003 1000 Sediment 8.59 1.3e+004 0 Persistence Time: 2.44e+003 hr
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