2-(4-Fluorophenyl)-2-methyl-1-propanamine
Fc1ccc(cc1)C(C)(C)CN CopyCopied
InChI=1S/C10H14FN/c1-10(2,7-12)8-3-5-9(11)6-4-8/h3-6H,7,12H2,1-2H3 CopyCopied
DHGRRSSFDBJARB-UHFFFAOYSA-N CopyCopied
Validated by Experts, Validated by Users, Non-Validated, Removed by Users, Redirected by Users, Redirect Approved by Experts
2-(4-fluorophenyl)-2-methylpropan-1-amine
2-(4-Fluoro-phenyl)-2-methyl-propylamine
MFCD09904312
Predicted data is generated using the ACD/Labs’ ACD/PhysChem Suite, for more information see their website.
Predicted data is generated using the US Environmental Protection Agency’s EPISuite™, for more information see their website.
Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = 2.41 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 218.75 (Adapted Stein & Brown method) Melting Pt (deg C): 27.55 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.123 (Modified Grain method) Subcooled liquid VP: 0.13 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): 5654 log Kow used: 2.41 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 2516 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.67E-006 atm-m3/mole Group Method: 6.74E-007 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 4.787E-006 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.41 (KowWin est) Log Kaw used: -4.166 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 6.576 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : -0.1722 Biowin2 (Non-Linear Model) : 0.0000 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.2350 (months ) Biowin4 (Primary Survey Model) : 3.5098 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4160 Biowin6 (MITI Non-Linear Model): 0.0053 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.1643 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): 17.3 Pa (0.13 mm Hg) Log Koa (Koawin est ): 6.576 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.73E-007 Octanol/air (Koa) model: 9.25E-007 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 6.25E-006 Mackay model : 1.38E-005 Octanol/air (Koa) model: 7.4E-005 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 34.9487 E-12 cm3/molecule-sec Half-Life = 0.306 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 3.673 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 1E-005 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 2854 Log Koc: 3.455 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 = 1.155 (BCF = 14.29) log Kow used: 2.41 (estimated) Volatilization from Water: Henry LC: 6.74E-007 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 1125 hours (46.86 days) Half-Life from Model Lake : 1.238E+004 hours (515.7 days) Removal In Wastewater Treatment: Total removal: 2.90 percent Total biodegradation: 0.10 percent Total sludge adsorption: 2.76 percent Total to Air: 0.04 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.252 7.34 1000 Water 22.2 1.44e+003 1000 Soil 77.4 2.88e+003 1000 Sediment 0.161 1.3e+004 0 Persistence Time: 1.29e+003 hr
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