Try beta.chemspider
Tricyclo[5.3.1.0~3,8~]undecane
C1CC2CC3CCC2C(C1)C3
InChI=1S/C11H18/c1-2-9-6-8-4-5-11(9)10(3-1)7-8/h8-11H,1-7H2
MCEWXTWROUCMOU-UHFFFAOYSA-N
CSID:446323, http://www.chemspider.com/Chemical-Structure.446323.html (accessed 20:16, Apr 26, 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) = 3.74 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 193.83 (Adapted Stein & Brown method) Melting Pt (deg C): -8.69 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.693 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 13.95 log Kow used: 3.74 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.3125 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.04E-001 atm-m3/mole Group Method: 3.01E-002 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 9.822E-003 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.74 (KowWin est) Log Kaw used: 0.921 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 2.819 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6760 Biowin2 (Non-Linear Model) : 0.7058 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.8671 (weeks ) Biowin4 (Primary Survey Model) : 3.6309 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4530 Biowin6 (MITI Non-Linear Model): 0.3375 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.1538 Ready Biodegradability Prediction: NO Hydrocarbon Biodegradation (BioHCwin v1.01): LOG BioHC Half-Life (days) : 1.8017 BioHC Half-Life (days) : 63.3426 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 84.7 Pa (0.635 mm Hg) Log Koa (Koawin est ): 2.819 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 3.54E-008 Octanol/air (Koa) model: 1.62E-010 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1.28E-006 Mackay model : 2.83E-006 Octanol/air (Koa) model: 1.29E-008 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 24.3317 E-12 cm3/molecule-sec Half-Life = 0.440 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 5.275 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 2.06E-006 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 3252 Log Koc: 3.512 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 = 2.183 (BCF = 152.3) log Kow used: 3.74 (estimated) Volatilization from Water: Henry LC: 0.204 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.254 hours Half-Life from Model Lake : 116.5 hours (4.853 days) Removal In Wastewater Treatment (recommended maximum 95%): Total removal: 98.85 percent Total biodegradation: 0.05 percent Total sludge adsorption: 11.01 percent Total to Air: 87.79 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 10.8 10.6 1000 Water 63 360 1000 Soil 21.6 720 1000 Sediment 4.59 3.24e+003 0 Persistence Time: 97.5 hr
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