Try beta.chemspider
2-Methyladamantan-2-yl methacrylate
CC(=C)C(=O)OC1(C2CC3CC(C2)CC1C3)C
InChI=1S/C15H22O2/c1-9(2)14(16)17-15(3)12-5-10-4-11(7-12)8-13(15)6-10/h10-13H,1,4-8H2,2-3H3
FDYDISGSYGFRJM-UHFFFAOYSA-N
CSID:8013286, http://www.chemspider.com/Chemical-Structure.8013286.html (accessed 14:49, 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) = 4.76 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 283.46 (Adapted Stein & Brown method) Melting Pt (deg C): 64.92 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.00198 (Modified Grain method) Subcooled liquid VP: 0.00468 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): 2.484 log Kow used: 4.76 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 2.3077 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Methacrylates Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.11E-004 atm-m3/mole Group Method: 3.01E-005 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 2.458E-004 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.76 (KowWin est) Log Kaw used: -2.064 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 6.824 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6262 Biowin2 (Non-Linear Model) : 0.8847 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.6094 (weeks-months) Biowin4 (Primary Survey Model) : 3.5852 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.5879 Biowin6 (MITI Non-Linear Model): 0.3467 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.0748 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): 0.624 Pa (0.00468 mm Hg) Log Koa (Koawin est ): 6.824 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 4.81E-006 Octanol/air (Koa) model: 1.64E-006 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.000174 Mackay model : 0.000384 Octanol/air (Koa) model: 0.000131 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 39.7989 E-12 cm3/molecule-sec Half-Life = 0.269 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 3.225 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): 0.000279 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 3642 Log Koc: 3.561 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 = 2.965 (BCF = 922.3) log Kow used: 4.76 (estimated) Volatilization from Water: Henry LC: 3.01E-005 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 31.34 hours (1.306 days) Half-Life from Model Lake : 470.2 hours (19.59 days) Removal In Wastewater Treatment: Total removal: 68.90 percent Total biodegradation: 0.61 percent Total sludge adsorption: 67.84 percent Total to Air: 0.45 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.208 5.09 1000 Water 12.5 900 1000 Soil 70.4 1.8e+003 1000 Sediment 16.9 8.1e+003 0 Persistence Time: 1.23e+003 hr
Click to predict properties on the Chemicalize site
Advertisement
Spotlight