2,2,8,8-Tetramethyl-6-oxatetracyclo[7.2.1.0~1,7~.0~5,7~]dodecane
CC1(CCC2C3(C14CCC(C4)C3(C)C)O2)C
InChI=1S/C15H24O/c1-12(2)7-6-11-15(16-11)13(3,4)10-5-8-14(12,15)9-10/h10-11H,5-9H2,1-4H3
VQHLGZRKOZIABH-UHFFFAOYSA-N
CSID:96315, http://www.chemspider.com/Chemical-Structure.96315.html (accessed 03:59, Apr 19, 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) = 4.38 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 247.81 (Adapted Stein & Brown method) Melting Pt (deg C): 66.05 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.0198 (Modified Grain method) Subcooled liquid VP: 0.048 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): 6.18 log Kow used: 4.38 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 3.6411 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Epoxides Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 4.10E-004 atm-m3/mole Group Method: 2.62E-005 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 9.290E-004 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.38 (KowWin est) Log Kaw used: -1.776 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 6.156 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : -0.4404 Biowin2 (Non-Linear Model) : 0.0000 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.8551 (months ) Biowin4 (Primary Survey Model) : 2.9063 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4537 Biowin6 (MITI Non-Linear Model): 0.2066 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.5975 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): 6.4 Pa (0.048 mm Hg) Log Koa (Koawin est ): 6.156 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 4.69E-007 Octanol/air (Koa) model: 3.52E-007 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1.69E-005 Mackay model : 3.75E-005 Octanol/air (Koa) model: 2.81E-005 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 8.3803 E-12 cm3/molecule-sec Half-Life = 1.276 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 15.316 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 2.72E-005 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1907 Log Koc: 3.280 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Ka (acid-catalyzed) at 25 deg C : 1.713E-003 L/mol-sec Ka Half-Life at pH 7: 128.225 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 2.676 (BCF = 473.9) log Kow used: 4.38 (estimated) Volatilization from Water: Henry LC: 0.00041 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 3.635 hours Half-Life from Model Lake : 164.1 hours (6.838 days) Removal In Wastewater Treatment: Total removal: 55.09 percent Total biodegradation: 0.43 percent Total sludge adsorption: 46.86 percent Total to Air: 7.81 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 1.01 30.6 1000 Water 7.09 1.44e+003 1000 Soil 86.6 2.88e+003 1000 Sediment 5.29 1.3e+004 0 Persistence Time: 1.55e+003 hr
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