Try beta.chemspider
2-Azatricyclo[3.3.1.1~3,7~]decane
C1C2CC3CC1CC(C2)N3
InChI=1S/C9H15N/c1-6-2-8-4-7(1)5-9(3-6)10-8/h6-10H,1-5H2
ZLSDEVRDASOICE-UHFFFAOYSA-N
CSID:553559, http://www.chemspider.com/Chemical-Structure.553559.html (accessed 05:58, Jun 6, 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) = 1.27 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 204.23 (Adapted Stein & Brown method) Melting Pt (deg C): 26.77 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.258 (Modified Grain method) Subcooled liquid VP: 0.268 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): 7.273e+004 log Kow used: 1.27 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 5676.7 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.04E-005 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 6.405E-007 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.27 (KowWin est) Log Kaw used: -3.371 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 4.641 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8360 Biowin2 (Non-Linear Model) : 0.8975 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.9204 (weeks ) Biowin4 (Primary Survey Model) : 3.6930 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4856 Biowin6 (MITI Non-Linear Model): 0.2581 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.5711 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): 35.7 Pa (0.268 mm Hg) Log Koa (Koawin est ): 4.641 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 8.4E-008 Octanol/air (Koa) model: 1.07E-008 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 3.03E-006 Mackay model : 6.72E-006 Octanol/air (Koa) model: 8.59E-007 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 131.8769 E-12 cm3/molecule-sec Half-Life = 0.081 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.973 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 4.87E-006 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 955 Log Koc: 2.980 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 = 0.274 (BCF = 1.881) log Kow used: 1.27 (estimated) Volatilization from Water: Henry LC: 1.04E-005 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 67.14 hours (2.798 days) Half-Life from Model Lake : 830.7 hours (34.61 days) Removal In Wastewater Treatment: Total removal: 2.49 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.82 percent Total to Air: 0.58 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.305 1.95 1000 Water 41.8 360 1000 Soil 57.8 720 1000 Sediment 0.0899 3.24e+003 0 Persistence Time: 346 hr
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