Try beta.chemspider
1-(5-Phenylpentyl)piperidine
C1CCN(CC1)CCCCCC2=CC=CC=C2
InChI=1S/C16H25N/c1-4-10-16(11-5-1)12-6-2-7-13-17-14-8-3-9-15-17/h1,4-5,10-11H,2-3,6-9,12-15H2
MRACOXALPXCQLZ-UHFFFAOYSA-N
CSID:8506933, http://www.chemspider.com/Chemical-Structure.8506933.html (accessed 19:58, Apr 25, 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) = 5.07 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 323.18 (Adapted Stein & Brown method) Melting Pt (deg C): 91.08 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.00013 (Modified Grain method) Subcooled liquid VP: 0.000565 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): 14.21 log Kow used: 5.07 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 10.455 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 9.45E-006 atm-m3/mole Group Method: 2.13E-006 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 2.785E-006 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.07 (KowWin est) Log Kaw used: -3.413 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 8.483 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6149 Biowin2 (Non-Linear Model) : 0.4691 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.3802 (weeks-months) Biowin4 (Primary Survey Model) : 3.1623 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2206 Biowin6 (MITI Non-Linear Model): 0.1656 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.1156 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): 0.0753 Pa (0.000565 mm Hg) Log Koa (Koawin est ): 8.483 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 3.98E-005 Octanol/air (Koa) model: 7.46E-005 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.00144 Mackay model : 0.00318 Octanol/air (Koa) model: 0.00594 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 112.5243 E-12 cm3/molecule-sec Half-Life = 0.095 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.141 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.00231 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 5.541E+004 Log Koc: 4.744 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 = 3.205 (BCF = 1604) log Kow used: 5.07 (estimated) Volatilization from Water: Henry LC: 2.13E-006 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 419.7 hours (17.49 days) Half-Life from Model Lake : 4706 hours (196.1 days) Removal In Wastewater Treatment: Total removal: 79.81 percent Total biodegradation: 0.69 percent Total sludge adsorption: 79.10 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 0.073 2.28 1000 Water 11.1 900 1000 Soil 59.5 1.8e+003 1000 Sediment 29.4 8.1e+003 0 Persistence Time: 1.46e+003 hr
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