N-(2-Phenylethyl)-2-propanimine
CC(=NCCc1ccccc1)C
InChI=1S/C11H15N/c1-10(2)12-9-8-11-6-4-3-5-7-11/h3-7H,8-9H2,1-2H3
NOODETHOLPRZFC-UHFFFAOYSA-N
CSID:479325, http://www.chemspider.com/Chemical-Structure.479325.html (accessed 03:33, Apr 19, 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) = 5.04 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 232.82 (Adapted Stein & Brown method) Melting Pt (deg C): -13.61 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.0675 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 3.346 log Kow used: 5.04 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 2.9459 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Schiff Bases Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 9.16E-004 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 4.280E-003 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.04 (KowWin est) Log Kaw used: -1.427 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 6.467 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8535 Biowin2 (Non-Linear Model) : 0.9567 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.7900 (weeks ) Biowin4 (Primary Survey Model) : 3.5515 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2681 Biowin6 (MITI Non-Linear Model): 0.2342 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.3222 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): 8.52 Pa (0.0639 mm Hg) Log Koa (Koawin est ): 6.467 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 3.52E-007 Octanol/air (Koa) model: 7.19E-007 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1.27E-005 Mackay model : 2.82E-005 Octanol/air (Koa) model: 5.76E-005 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 7.4773 E-12 cm3/molecule-sec Half-Life = 1.430 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 17.166 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 2.04E-005 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 5022 Log Koc: 3.701 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 = 3.182 (BCF = 1519) log Kow used: 5.04 (estimated) Volatilization from Water: Henry LC: 0.000916 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 2.107 hours Half-Life from Model Lake : 129.5 hours (5.394 days) Removal In Wastewater Treatment: Total removal: 81.15 percent Total biodegradation: 0.63 percent Total sludge adsorption: 75.06 percent Total to Air: 5.46 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 2.96 34.3 1000 Water 13 360 1000 Soil 67.8 720 1000 Sediment 16.2 3.24e+003 0 Persistence Time: 509 hr
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