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4-Methyl-1-[4-(4-methylphenoxy)butyl]piperidine
Cc1ccc(cc1)OCCCCN2CCC(CC2)C
InChI=1S/C17H27NO/c1-15-5-7-17(8-6-15)19-14-4-3-11-18-12-9-16(2)10-13-18/h5-8,16H,3-4,9-14H2,1-2H3
VPRXIONYWNSYLU-UHFFFAOYSA-N
CSID:1697218, http://www.chemspider.com/Chemical-Structure.1697218.html (accessed 06:01, Apr 30, 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) = 5.08 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 344.91 (Adapted Stein & Brown method) Melting Pt (deg C): 108.12 (Mean or Weighted MP) VP(mm Hg,25 deg C): 2.66E-005 (Modified Grain method) Subcooled liquid VP: 0.000174 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): 9.565 log Kow used: 5.08 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 5.7941 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 5.59E-007 atm-m3/mole Group Method: 1.81E-006 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 9.565E-007 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.08 (KowWin est) Log Kaw used: -4.641 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 9.721 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6044 Biowin2 (Non-Linear Model) : 0.4748 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.2337 (months ) Biowin4 (Primary Survey Model) : 3.1912 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4086 Biowin6 (MITI Non-Linear Model): 0.2322 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.2305 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): 0.0232 Pa (0.000174 mm Hg) Log Koa (Koawin est ): 9.721 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.000129 Octanol/air (Koa) model: 0.00129 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.00465 Mackay model : 0.0102 Octanol/air (Koa) model: 0.0936 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 142.9191 E-12 cm3/molecule-sec Half-Life = 0.075 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.898 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.00744 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 3.306E+004 Log Koc: 4.519 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 = 3.211 (BCF = 1625) log Kow used: 5.08 (estimated) Volatilization from Water: Henry LC: 1.81E-006 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 524.6 hours (21.86 days) Half-Life from Model Lake : 5859 hours (244.1 days) Removal In Wastewater Treatment: Total removal: 80.09 percent Total biodegradation: 0.69 percent Total sludge adsorption: 79.38 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 0.0373 1.8 1000 Water 8.36 1.44e+003 1000 Soil 61.3 2.88e+003 1000 Sediment 30.3 1.3e+004 0 Persistence Time: 2.27e+003 hr
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