N-Ethyl-N-methyl-1-phenyl-2-propanamine
CCN(C)C(C)Cc1ccccc1
InChI=1S/C12H19N/c1-4-13(3)11(2)10-12-8-6-5-7-9-12/h5-9,11H,4,10H2,1-3H3
RGXSEQYXMRRSTM-UHFFFAOYSA-N
CSID:486346, http://www.chemspider.com/Chemical-Structure.486346.html (accessed 05:53, Sep 23, 2023)
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) = 2.92 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 236.38 (Adapted Stein & Brown method) Melting Pt (deg C): 10.05 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.056 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 1842 log Kow used: 2.92 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 474.88 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 6.90E-006 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 7.092E-006 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.92 (KowWin est) Log Kaw used: -3.550 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 6.470 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6406 Biowin2 (Non-Linear Model) : 0.6558 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.4997 (weeks-months) Biowin4 (Primary Survey Model) : 3.2403 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.0852 Biowin6 (MITI Non-Linear Model): 0.0712 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.9981 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): 7.11 Pa (0.0533 mm Hg) Log Koa (Koawin est ): 6.470 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 4.22E-007 Octanol/air (Koa) model: 7.24E-007 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1.52E-005 Mackay model : 3.38E-005 Octanol/air (Koa) model: 5.8E-005 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 104.4711 E-12 cm3/molecule-sec Half-Life = 0.102 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.229 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 2.45E-005 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 3689 Log Koc: 3.567 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 = 1.551 (BCF = 35.58) log Kow used: 2.92 (estimated) Volatilization from Water: Henry LC: 6.9E-006 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 114.3 hours (4.764 days) Half-Life from Model Lake : 1359 hours (56.62 days) Removal In Wastewater Treatment: Total removal: 5.43 percent Total biodegradation: 0.12 percent Total sludge adsorption: 4.94 percent Total to Air: 0.37 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.122 2.46 1000 Water 19.7 900 1000 Soil 79.8 1.8e+003 1000 Sediment 0.376 8.1e+003 0 Persistence Time: 987 hr
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