Try beta.chemspider
4-[3-(4-Fluorophenyl)propyl]piperidine
c1cc(ccc1CCCC2CCNCC2)F
InChI=1S/C14H20FN/c15-14-6-4-12(5-7-14)2-1-3-13-8-10-16-11-9-13/h4-7,13,16H,1-3,8-11H2
NOAWTCRBYKDFGP-UHFFFAOYSA-N
CSID:2320093, http://www.chemspider.com/Chemical-Structure.2320093.html (accessed 11:20, Jun 3, 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) = 4.50 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 308.47 (Adapted Stein & Brown method) Melting Pt (deg C): 86.41 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.00032 (Modified Grain method) Subcooled liquid VP: 0.00124 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): 49.88 log Kow used: 4.50 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 96.943 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.78E-006 atm-m3/mole Group Method: 8.48E-007 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 1.868E-006 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.50 (KowWin est) Log Kaw used: -3.811 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 8.311 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.0407 Biowin2 (Non-Linear Model) : 0.0001 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.2527 (weeks-months) Biowin4 (Primary Survey Model) : 3.5166 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2717 Biowin6 (MITI Non-Linear Model): 0.0022 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.1212 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): 0.165 Pa (0.00124 mm Hg) Log Koa (Koawin est ): 8.311 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.81E-005 Octanol/air (Koa) model: 5.02E-005 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.000655 Mackay model : 0.00145 Octanol/air (Koa) model: 0.004 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 97.7548 E-12 cm3/molecule-sec Half-Life = 0.109 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.313 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.00105 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 3.512E+004 Log Koc: 4.546 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 = 2.762 (BCF = 578.3) log Kow used: 4.50 (estimated) Volatilization from Water: Henry LC: 8.48E-007 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 1029 hours (42.86 days) Half-Life from Model Lake : 1.135E+004 hours (472.8 days) Removal In Wastewater Treatment: Total removal: 56.04 percent Total biodegradation: 0.52 percent Total sludge adsorption: 55.50 percent Total to Air: 0.02 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.101 2.63 1000 Water 15.2 900 1000 Soil 73.4 1.8e+003 1000 Sediment 11.4 8.1e+003 0 Persistence Time: 1.19e+003 hr
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