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N-Ethyl-3-phenyl-N-(3-phenylpropyl)-1-propanamine
CCN(CCCc1ccccc1)CCCc2ccccc2
InChI=1S/C20H27N/c1-2-21(17-9-15-19-11-5-3-6-12-19)18-10-16-20-13-7-4-8-14-20/h3-8,11-14H,2,9-10,15-18H2,1H3
ZPFXAOWNKLFJDN-UHFFFAOYSA-N
CSID:3550, http://www.chemspider.com/Chemical-Structure.3550.html (accessed 12:59, Apr 25, 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) = 5.91 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 374.76 (Adapted Stein & Brown method) Melting Pt (deg C): 116.23 (Mean or Weighted MP) VP(mm Hg,25 deg C): 3.39E-005 (Modified Grain method) MP (exp database): < 25 deg C BP (exp database): 212.5 @ 13 mm Hg deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 1.437 log Kow used: 5.91 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.13931 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 9.81E-007 atm-m3/mole Group Method: 1.94E-007 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 8.736E-006 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.91 (KowWin est) Log Kaw used: -4.397 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 10.307 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7738 Biowin2 (Non-Linear Model) : 0.8237 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.2167 (months ) Biowin4 (Primary Survey Model) : 3.0264 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.0083 Biowin6 (MITI Non-Linear Model): 0.0349 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.9499 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): 0.00452 Pa (3.39E-005 mm Hg) Log Koa (Koawin est ): 10.307 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.000664 Octanol/air (Koa) model: 0.00498 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.0234 Mackay model : 0.0504 Octanol/air (Koa) model: 0.285 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 111.0354 E-12 cm3/molecule-sec Half-Life = 0.096 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.156 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.0369 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 5.899E+005 Log Koc: 5.771 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 = 3.850 (BCF = 7087) log Kow used: 5.91 (estimated) Volatilization from Water: Henry LC: 1.94E-007 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 5065 hours (211 days) Half-Life from Model Lake : 5.539E+004 hours (2308 days) Removal In Wastewater Treatment: Total removal: 91.73 percent Total biodegradation: 0.77 percent Total sludge adsorption: 90.96 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 0.0281 2.31 1000 Water 3.32 1.44e+003 1000 Soil 39.2 2.88e+003 1000 Sediment 57.5 1.3e+004 0 Persistence Time: 3.67e+003 hr
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