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2-(1-Naphthyl)pyrrolidine
c1ccc2c(c1)cccc2C3CCCN3
InChI=1S/C14H15N/c1-2-7-12-11(5-1)6-3-8-13(12)14-9-4-10-15-14/h1-3,5-8,14-15H,4,9-10H2
FEJHFYHZVJWOOE-UHFFFAOYSA-N
CSID:218704, http://www.chemspider.com/Chemical-Structure.218704.html (accessed 03:13, Apr 24, 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) = 3.51 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 338.01 (Adapted Stein & Brown method) Melting Pt (deg C): 109.79 (Mean or Weighted MP) VP(mm Hg,25 deg C): 3.72E-005 (Modified Grain method) Subcooled liquid VP: 0.000254 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): 465 log Kow used: 3.51 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 154.2 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.02E-007 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.077E-008 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.51 (KowWin est) Log Kaw used: -5.380 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 8.890 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8075 Biowin2 (Non-Linear Model) : 0.7887 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.7876 (weeks ) Biowin4 (Primary Survey Model) : 3.6064 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2655 Biowin6 (MITI Non-Linear Model): 0.1623 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.0184 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): 0.0339 Pa (0.000254 mm Hg) Log Koa (Koawin est ): 8.890 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 8.86E-005 Octanol/air (Koa) model: 0.000191 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.00319 Mackay model : 0.00704 Octanol/air (Koa) model: 0.015 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 137.0944 E-12 cm3/molecule-sec Half-Life = 0.078 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.936 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.00511 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 2.168E+004 Log Koc: 4.336 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 = 2.001 (BCF = 100.2) log Kow used: 3.51 (estimated) Volatilization from Water: Henry LC: 1.02E-007 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 8064 hours (336 days) Half-Life from Model Lake : 8.809E+004 hours (3670 days) Removal In Wastewater Treatment: Total removal: 13.27 percent Total biodegradation: 0.19 percent Total sludge adsorption: 13.07 percent Total to Air: 0.01 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.17 1.87 1000 Water 23.8 360 1000 Soil 74.9 720 1000 Sediment 1.08 3.24e+003 0 Persistence Time: 484 hr
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