8-Methyl-3-phenyl-8-azabicyclo[3.2.1]octane
CN1C2CCC1CC(C2)c3ccccc3
InChI=1S/C14H19N/c1-15-13-7-8-14(15)10-12(9-13)11-5-3-2-4-6-11/h2-6,12-14H,7-10H2,1H3
VGZDEVKDDGMADS-UHFFFAOYSA-N
CSID:2311655, http://www.chemspider.com/Chemical-Structure.2311655.html (accessed 22:50, Oct 3, 2023)
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) = 3.41 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 287.38 (Adapted Stein & Brown method) Melting Pt (deg C): 68.61 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.00148 (Modified Grain method) Subcooled liquid VP: 0.0038 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): 532.5 log Kow used: 3.41 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 116.94 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.36E-006 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 7.362E-007 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.41 (KowWin est) Log Kaw used: -4.016 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 7.426 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6292 Biowin2 (Non-Linear Model) : 0.5753 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.4467 (weeks-months) Biowin4 (Primary Survey Model) : 3.2056 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.1639 Biowin6 (MITI Non-Linear Model): 0.0720 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.0598 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): 0.507 Pa (0.0038 mm Hg) Log Koa (Koawin est ): 7.426 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 5.92E-006 Octanol/air (Koa) model: 6.55E-006 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.000214 Mackay model : 0.000473 Octanol/air (Koa) model: 0.000523 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 54.3991 E-12 cm3/molecule-sec Half-Life = 0.197 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 2.359 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.000344 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.43E+004 Log Koc: 4.155 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 = 1.929 (BCF = 84.95) log Kow used: 3.41 (estimated) Volatilization from Water: Henry LC: 2.36E-006 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 353.4 hours (14.73 days) Half-Life from Model Lake : 3975 hours (165.6 days) Removal In Wastewater Treatment: Total removal: 11.25 percent Total biodegradation: 0.17 percent Total sludge adsorption: 10.97 percent Total to Air: 0.12 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.204 4.72 1000 Water 18.2 900 1000 Soil 80.6 1.8e+003 1000 Sediment 1.06 8.1e+003 0 Persistence Time: 1.05e+003 hr
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