2-Methyl-1-[3-(trifluoromethyl)phenyl]-2-propanamine
CC(C)(Cc1cccc(c1)C(F)(F)F)N
InChI=1S/C11H14F3N/c1-10(2,15)7-8-4-3-5-9(6-8)11(12,13)14/h3-6H,7,15H2,1-2H3
CUEVAAQJHCRHJI-UHFFFAOYSA-N
CSID:108137, http://www.chemspider.com/Chemical-Structure.108137.html (accessed 07:37, Apr 18, 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) = 3.17 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 228.61 (Adapted Stein & Brown method) Melting Pt (deg C): 36.34 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.0625 (Modified Grain method) Subcooled liquid VP: 0.0791 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): 709 log Kow used: 3.17 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 70.12 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.24E-005 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.520E-005 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.17 (KowWin est) Log Kaw used: -3.295 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 6.465 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.1483 Biowin2 (Non-Linear Model) : 0.0031 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.9436 (months ) Biowin4 (Primary Survey Model) : 3.0812 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.1969 Biowin6 (MITI Non-Linear Model): 0.0000 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.0165 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): 10.5 Pa (0.0791 mm Hg) Log Koa (Koawin est ): 6.465 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 2.84E-007 Octanol/air (Koa) model: 7.16E-007 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1.03E-005 Mackay model : 2.28E-005 Octanol/air (Koa) model: 5.73E-005 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 2.2166 E-12 cm3/molecule-sec Half-Life = 4.825 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 57.905 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 1.65E-005 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.13E+004 Log Koc: 4.053 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 = 1.742 (BCF = 55.25) log Kow used: 3.17 (estimated) Volatilization from Water: Henry LC: 1.24E-005 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 71.1 hours (2.962 days) Half-Life from Model Lake : 899.2 hours (37.47 days) Removal In Wastewater Treatment: Total removal: 8.04 percent Total biodegradation: 0.14 percent Total sludge adsorption: 7.26 percent Total to Air: 0.65 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 1.44 116 1000 Water 14.8 1.44e+003 1000 Soil 83.2 2.88e+003 1000 Sediment 0.559 1.3e+004 0 Persistence Time: 1.54e+003 hr
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