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9-Chloro-9-azabicyclo[3.3.1]nonane
C1CC2CCCC(C1)N2Cl
InChI=1S/C8H14ClN/c9-10-7-3-1-4-8(10)6-2-5-7/h7-8H,1-6H2
JMLWQDURPCLFLN-UHFFFAOYSA-N
CSID:127560, http://www.chemspider.com/Chemical-Structure.127560.html (accessed 21:00, Jul 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) = 1.72 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 191.40 (Adapted Stein & Brown method) Melting Pt (deg C): 16.12 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.553 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 2315 log Kow used: 1.72 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 23696 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.40E-004 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 5.018E-005 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.72 (KowWin est) Log Kaw used: -1.857 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 3.577 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6715 Biowin2 (Non-Linear Model) : 0.6773 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.8463 (weeks ) Biowin4 (Primary Survey Model) : 3.6174 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3804 Biowin6 (MITI Non-Linear Model): 0.2843 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.1949 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): 67.2 Pa (0.504 mm Hg) Log Koa (Koawin est ): 3.577 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 4.46E-008 Octanol/air (Koa) model: 9.27E-010 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1.61E-006 Mackay model : 3.57E-006 Octanol/air (Koa) model: 7.41E-008 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 63.0698 E-12 cm3/molecule-sec Half-Life = 0.170 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 2.035 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 2.59E-006 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 929.6 Log Koc: 2.968 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 = 0.628 (BCF = 4.242) log Kow used: 1.72 (estimated) Volatilization from Water: Henry LC: 0.00034 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 3.465 hours Half-Life from Model Lake : 143.8 hours (5.99 days) Removal In Wastewater Treatment: Total removal: 15.28 percent Total biodegradation: 0.08 percent Total sludge adsorption: 1.75 percent Total to Air: 13.45 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 1.81 4.07 1000 Water 42.4 360 1000 Soil 55.7 720 1000 Sediment 0.116 3.24e+003 0 Persistence Time: 198 hr
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