Bicyclo[3.3.2]decane
C2CC1CCCC(CC1)C2
InChI=1S/C10H18/c1-3-9-5-2-6-10(4-1)8-7-9/h9-10H,1-8H2
WMRPOCDOMSNXCQ-UHFFFAOYSA-N
CSID:10706801, http://www.chemspider.com/Chemical-Structure.10706801.html (accessed 08:27, Dec 11, 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) = 4.54 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 179.54 (Adapted Stein & Brown method) Melting Pt (deg C): -28.86 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.35 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 3.291 log Kow used: 4.54 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1.5307 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.49E-001 atm-m3/mole Group Method: 1.28E-001 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 7.463E-002 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.54 (KowWin est) Log Kaw used: 1.154 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 3.386 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6817 Biowin2 (Non-Linear Model) : 0.7399 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.8936 (weeks ) Biowin4 (Primary Survey Model) : 3.6483 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4835 Biowin6 (MITI Non-Linear Model): 0.5418 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.0451 Ready Biodegradability Prediction: NO Hydrocarbon Biodegradation (BioHCwin v1.01): LOG BioHC Half-Life (days) : 1.8360 BioHC Half-Life (days) : 68.5542 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 164 Pa (1.23 mm Hg) Log Koa (Koawin est ): 3.386 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.83E-008 Octanol/air (Koa) model: 5.97E-010 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 6.61E-007 Mackay model : 1.46E-006 Octanol/air (Koa) model: 4.78E-008 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 18.5246 E-12 cm3/molecule-sec Half-Life = 0.577 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 6.929 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 1.06E-006 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1800 Log Koc: 3.255 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 = 2.795 (BCF = 623.2) log Kow used: 4.54 (estimated) Volatilization from Water: Henry LC: 0.349 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.202 hours Half-Life from Model Lake : 111.7 hours (4.654 days) Removal In Wastewater Treatment (recommended maximum 95%): Total removal: 99.46 percent Total biodegradation: 0.11 percent Total sludge adsorption: 35.03 percent Total to Air: 64.32 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 7.62 13.9 1000 Water 37.1 360 1000 Soil 39.8 720 1000 Sediment 15.5 3.24e+003 0 Persistence Time: 165 hr
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