1-(2,4-Dichloro-6-methylphenyl)methanamine
Cc1cc(cc(c1CN)Cl)Cl
InChI=1S/C8H9Cl2N/c1-5-2-6(9)3-8(10)7(5)4-11/h2-3H,4,11H2,1H3
QISTWSMZJRTDCS-UHFFFAOYSA-N
CSID:2079685, http://www.chemspider.com/Chemical-Structure.2079685.html (accessed 18:33, Apr 19, 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) = 2.91 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 262.71 (Adapted Stein & Brown method) Melting Pt (deg C): 64.44 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.0059 (Modified Grain method) Subcooled liquid VP: 0.0138 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): 1651 log Kow used: 2.91 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 673.45 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Benzyl Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.71E-007 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 8.937E-007 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.91 (KowWin est) Log Kaw used: -4.819 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 7.729 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.5007 Biowin2 (Non-Linear Model) : 0.1156 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.3155 (weeks-months) Biowin4 (Primary Survey Model) : 3.2176 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.1945 Biowin6 (MITI Non-Linear Model): 0.0369 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.3611 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): 1.84 Pa (0.0138 mm Hg) Log Koa (Koawin est ): 7.729 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.63E-006 Octanol/air (Koa) model: 1.32E-005 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 5.89E-005 Mackay model : 0.00013 Octanol/air (Koa) model: 0.00105 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 32.8911 E-12 cm3/molecule-sec Half-Life = 0.325 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 3.902 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 9.47E-005 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1722 Log Koc: 3.236 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 = 1.537 (BCF = 34.46) log Kow used: 2.91 (estimated) Volatilization from Water: Henry LC: 3.71E-007 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 2177 hours (90.71 days) Half-Life from Model Lake : 2.387E+004 hours (994.4 days) Removal In Wastewater Treatment: Total removal: 5.01 percent Total biodegradation: 0.12 percent Total sludge adsorption: 4.88 percent Total to Air: 0.02 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.302 7.8 1000 Water 19.4 900 1000 Soil 79.9 1.8e+003 1000 Sediment 0.362 8.1e+003 0 Persistence Time: 1.05e+003 hr
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