Try beta.chemspider
1-Benzyl-4-methyl-4-piperidinamine
CC1(CCN(CC1)Cc2ccccc2)N
InChI=1S/C13H20N2/c1-13(14)7-9-15(10-8-13)11-12-5-3-2-4-6-12/h2-6H,7-11,14H2,1H3
YDQYORVMGACBMI-UHFFFAOYSA-N
CSID:11196050, http://www.chemspider.com/Chemical-Structure.11196050.html (accessed 01:18, 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) = 2.02 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 307.20 (Adapted Stein & Brown method) Melting Pt (deg C): 93.34 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.000291 (Modified Grain method) Subcooled liquid VP: 0.00133 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): 8034 log Kow used: 2.02 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 32449 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 4.15E-010 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 9.738E-009 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.02 (KowWin est) Log Kaw used: -7.770 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 9.790 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.5430 Biowin2 (Non-Linear Model) : 0.2830 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.3272 (weeks-months) Biowin4 (Primary Survey Model) : 3.1597 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.1851 Biowin6 (MITI Non-Linear Model): 0.0656 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.2216 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): 0.177 Pa (0.00133 mm Hg) Log Koa (Koawin est ): 9.790 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.69E-005 Octanol/air (Koa) model: 0.00151 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.000611 Mackay model : 0.00135 Octanol/air (Koa) model: 0.108 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 124.8927 E-12 cm3/molecule-sec Half-Life = 0.086 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.028 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.000981 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 8550 Log Koc: 3.932 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 = 0.853 (BCF = 7.121) log Kow used: 2.02 (estimated) Volatilization from Water: Henry LC: 4.15E-010 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 2.017E+006 hours (8.403E+004 days) Half-Life from Model Lake : 2.2E+007 hours (9.166E+005 days) Removal In Wastewater Treatment: Total removal: 2.26 percent Total biodegradation: 0.10 percent Total sludge adsorption: 2.17 percent Total to Air: 0.00 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.00383 2.06 1000 Water 22.9 900 1000 Soil 77 1.8e+003 1000 Sediment 0.0905 8.1e+003 0 Persistence Time: 1.4e+003 hr
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