Try beta.chemspider
1-Chlorobicyclo[3.3.1]nonane
C1CC2CCCC(C1)(C2)Cl
InChI=1S/C9H15Cl/c10-9-5-1-3-8(7-9)4-2-6-9/h8H,1-7H2
YLPLUQLVOVEGQG-UHFFFAOYSA-N
CSID:553478, http://www.chemspider.com/Chemical-Structure.553478.html (accessed 09:48, 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) = 4.26 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 178.90 (Adapted Stein & Brown method) Melting Pt (deg C): -6.02 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.02 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 15.85 log Kow used: 4.26 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 55.055 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.54E-002 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.344E-002 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.26 (KowWin est) Log Kaw used: -0.201 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 4.461 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.3767 Biowin2 (Non-Linear Model) : 0.0562 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.4632 (weeks-months) Biowin4 (Primary Survey Model) : 3.3648 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4593 Biowin6 (MITI Non-Linear Model): 0.3167 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.3134 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): 123 Pa (0.925 mm Hg) Log Koa (Koawin est ): 4.461 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 2.43E-008 Octanol/air (Koa) model: 7.1E-009 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 8.79E-007 Mackay model : 1.95E-006 Octanol/air (Koa) model: 5.68E-007 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 12.7087 E-12 cm3/molecule-sec Half-Life = 0.842 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 10.099 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 1.41E-006 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1472 Log Koc: 3.168 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 5.633E-016 L/mol-sec Kb Half-Life at pH 8: 3.899E+013 years Kb Half-Life at pH 7: 3.899E+014 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 2.583 (BCF = 382.9) log Kow used: 4.26 (estimated) Volatilization from Water: Henry LC: 0.0154 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.333 hours Half-Life from Model Lake : 120.2 hours (5.007 days) Removal In Wastewater Treatment: Total removal: 89.13 percent Total biodegradation: 0.15 percent Total sludge adsorption: 28.51 percent Total to Air: 60.47 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 2.65 20.2 1000 Water 13.5 900 1000 Soil 78 1.8e+003 1000 Sediment 5.85 8.1e+003 0 Persistence Time: 581 hr
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