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3-Fluoro-1-(1-phenylcyclohexyl)piperidine
c1ccc(cc1)C2(CCCCC2)N3CCCC(C3)F
InChI=1S/C17H24FN/c18-16-10-7-13-19(14-16)17(11-5-2-6-12-17)15-8-3-1-4-9-15/h1,3-4,8-9,16H,2,5-7,10-14H2
FZCBLEDJIQAVGX-UHFFFAOYSA-N
CSID:532565, http://www.chemspider.com/Chemical-Structure.532565.html (accessed 13:22, May 11, 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) = 4.76 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 332.51 (Adapted Stein & Brown method) Melting Pt (deg C): 102.33 (Mean or Weighted MP) VP(mm Hg,25 deg C): 6.01E-005 (Modified Grain method) Subcooled liquid VP: 0.000342 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): 18.04 log Kow used: 4.76 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 14.796 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.10E-005 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.146E-006 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.76 (KowWin est) Log Kaw used: -3.347 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 8.107 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.3620 Biowin2 (Non-Linear Model) : 0.0547 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.1766 (months ) Biowin4 (Primary Survey Model) : 3.0341 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.1658 Biowin6 (MITI Non-Linear Model): 0.0011 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.8726 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): 0.0456 Pa (0.000342 mm Hg) Log Koa (Koawin est ): 8.107 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 6.58E-005 Octanol/air (Koa) model: 3.14E-005 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.00237 Mackay model : 0.00524 Octanol/air (Koa) model: 0.00251 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 25.7993 E-12 cm3/molecule-sec Half-Life = 0.415 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 4.975 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.0038 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 3.192E+004 Log Koc: 4.504 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 = 2.963 (BCF = 917.3) log Kow used: 4.76 (estimated) Volatilization from Water: Henry LC: 1.1E-005 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 87.7 hours (3.654 days) Half-Life from Model Lake : 1092 hours (45.51 days) Removal In Wastewater Treatment: Total removal: 68.76 percent Total biodegradation: 0.61 percent Total sludge adsorption: 67.98 percent Total to Air: 0.17 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.227 9.95 1000 Water 10.1 1.44e+003 1000 Soil 71.6 2.88e+003 1000 Sediment 18.1 1.3e+004 0 Persistence Time: 1.94e+003 hr
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