N-Benzyl-2-phenyl-N-(2-phenylethyl)-1-propanamine
CC(CN(CCc1ccccc1)Cc2ccccc2)c3ccccc3
InChI=1S/C24H27N/c1-21(24-15-9-4-10-16-24)19-25(20-23-13-7-3-8-14-23)18-17-22-11-5-2-6-12-22/h2-16,21H,17-20H2,1H3
VSCYCHSMGVRSAR-UHFFFAOYSA-N
CSID:3630675, http://www.chemspider.com/Chemical-Structure.3630675.html (accessed 15:30, Mar 29, 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) = 6.12 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 428.71 (Adapted Stein & Brown method) Melting Pt (deg C): 152.38 (Mean or Weighted MP) VP(mm Hg,25 deg C): 8.3E-008 (Modified Grain method) Subcooled liquid VP: 1.65E-006 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): 0.5007 log Kow used: 6.12 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.011904 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 4.50E-008 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 7.187E-008 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 6.12 (KowWin est) Log Kaw used: -5.735 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 11.855 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8790 Biowin2 (Non-Linear Model) : 0.9345 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.1326 (months ) Biowin4 (Primary Survey Model) : 2.9620 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.2516 Biowin6 (MITI Non-Linear Model): 0.0059 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.2538 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): 0.00022 Pa (1.65E-006 mm Hg) Log Koa (Koawin est ): 11.855 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.0136 Octanol/air (Koa) model: 0.176 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.33 Mackay model : 0.522 Octanol/air (Koa) model: 0.934 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 114.0726 E-12 cm3/molecule-sec Half-Life = 0.094 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.125 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.426 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 6.252E+006 Log Koc: 6.796 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 = 4.010 (BCF = 1.023e+004) log Kow used: 6.12 (estimated) Volatilization from Water: Henry LC: 4.5E-008 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 2.362E+004 hours (984.1 days) Half-Life from Model Lake : 2.578E+005 hours (1.074E+004 days) Removal In Wastewater Treatment: Total removal: 92.60 percent Total biodegradation: 0.77 percent Total sludge adsorption: 91.83 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 0.0222 2.25 1000 Water 2.59 1.44e+003 1000 Soil 37.6 2.88e+003 1000 Sediment 59.8 1.3e+004 0 Persistence Time: 4.11e+003 hr
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