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2,5,5,8a-Tetramethyl-1-(2-oxopropyl)decahydro-2-naphthalenyl acetate
CC(=O)CC1C2(CCCC(C2CCC1(C)OC(=O)C)(C)C)C
InChI=1S/C19H32O3/c1-13(20)12-16-18(5)10-7-9-17(3,4)15(18)8-11-19(16,6)22-14(2)21/h15-16H,7-12H2,1-6H3
XHETYBHZFONUCC-UHFFFAOYSA-N
CSID:2128560, http://www.chemspider.com/Chemical-Structure.2128560.html (accessed 18:00, May 22, 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) = 4.79 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 351.40 (Adapted Stein & Brown method) Melting Pt (deg C): 119.58 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.41E-005 (Modified Grain method) Subcooled liquid VP: 0.000122 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): 0.8861 log Kow used: 4.79 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 2.9035 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Esters Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.21E-006 atm-m3/mole Group Method: 5.48E-008 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 6.459E-006 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.79 (KowWin est) Log Kaw used: -4.306 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 9.096 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.2299 Biowin2 (Non-Linear Model) : 0.0514 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.9989 (months ) Biowin4 (Primary Survey Model) : 3.1491 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.6342 Biowin6 (MITI Non-Linear Model): 0.3934 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.3593 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): 0.0163 Pa (0.000122 mm Hg) Log Koa (Koawin est ): 9.096 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.000184 Octanol/air (Koa) model: 0.000306 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.00662 Mackay model : 0.0145 Octanol/air (Koa) model: 0.0239 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 23.7968 E-12 cm3/molecule-sec Half-Life = 0.449 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 5.394 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.0106 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 2455 Log Koc: 3.390 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 3.014E-002 L/mol-sec Kb Half-Life at pH 8: 266.184 days Kb Half-Life at pH 7: 7.288 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 2.990 (BCF = 976.4) log Kow used: 4.79 (estimated) Volatilization from Water: Henry LC: 5.48E-008 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 1.877E+004 hours (781.9 days) Half-Life from Model Lake : 2.049E+005 hours (8536 days) Removal In Wastewater Treatment: Total removal: 69.95 percent Total biodegradation: 0.62 percent Total sludge adsorption: 69.33 percent Total to Air: 0.00 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.11 10.8 1000 Water 8.61 1.44e+003 1000 Soil 74.8 2.88e+003 1000 Sediment 16.5 1.3e+004 0 Persistence Time: 2.49e+003 hr
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