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2-Ethyladamantan-2-yl methacrylate
O=C(OC3(C1CC2CC3CC(C1)C2)CC)\C(=C)C
InChI=1S/C16H24O2/c1-4-16(18-15(17)10(2)3)13-6-11-5-12(8-13)9-14(16)7-11/h11-14H,2,4-9H2,1,3H3
DCTVCFJTKSQXED-UHFFFAOYSA-N
CSID:7989395, http://www.chemspider.com/Chemical-Structure.7989395.html (accessed 00:15, 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) = 5.25 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 298.68 (Adapted Stein & Brown method) Melting Pt (deg C): 74.99 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.000703 (Modified Grain method) Subcooled liquid VP: 0.00209 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): 0.7923 log Kow used: 5.25 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.71024 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Methacrylates Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.80E-004 atm-m3/mole Group Method: 4.25E-005 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 2.900E-004 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.25 (KowWin est) Log Kaw used: -1.941 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 7.191 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6196 Biowin2 (Non-Linear Model) : 0.8627 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.5784 (weeks-months) Biowin4 (Primary Survey Model) : 3.5649 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.5956 Biowin6 (MITI Non-Linear Model): 0.3523 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.0488 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): 0.279 Pa (0.00209 mm Hg) Log Koa (Koawin est ): 7.191 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.08E-005 Octanol/air (Koa) model: 3.81E-006 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.000389 Mackay model : 0.000861 Octanol/air (Koa) model: 0.000305 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 40.9477 E-12 cm3/molecule-sec Half-Life = 0.261 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 3.135 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 1.137500 E-17 cm3/molecule-sec Half-Life = 1.007 Days (at 7E11 mol/cm3) Half-Life = 24.179 Hrs Fraction sorbed to airborne particulates (phi): 0.000625 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 7236 Log Koc: 3.860 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 8.015E-004 L/mol-sec Kb Half-Life at pH 8: 27.403 years Kb Half-Life at pH 7: 274.026 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 3.343 (BCF = 2203) log Kow used: 5.25 (estimated) Volatilization from Water: Henry LC: 4.25E-005 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 23.32 hours Half-Life from Model Lake : 386.5 hours (16.11 days) Removal In Wastewater Treatment: Total removal: 84.27 percent Total biodegradation: 0.72 percent Total sludge adsorption: 83.31 percent Total to Air: 0.24 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.166 4.98 1000 Water 8.77 900 1000 Soil 57 1.8e+003 1000 Sediment 34.1 8.1e+003 0 Persistence Time: 1.52e+003 hr
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