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1-[1,1-Dimethyl-6-(2-methyl-2-propanyl)-2,3-dihydro-1H-inden-4-yl]ethyl acetate
CC(c1cc(cc2c1CCC2(C)C)C(C)(C)C)OC(=O)C
InChI=1S/C19H28O2/c1-12(21-13(2)20)16-10-14(18(3,4)5)11-17-15(16)8-9-19(17,6)7/h10-12H,8-9H2,1-7H3
LGKHGKSBZLRHIF-UHFFFAOYSA-N
CSID:3075145, http://www.chemspider.com/Chemical-Structure.3075145.html (accessed 09:57, 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) = 6.75 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 340.64 (Adapted Stein & Brown method) Melting Pt (deg C): 105.51 (Mean or Weighted MP) VP(mm Hg,25 deg C): 3.58E-005 (Modified Grain method) Subcooled liquid VP: 0.00022 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): 0.02453 log Kow used: 6.75 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.07239 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Esters Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 6.10E-005 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 5.539E-004 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 6.75 (KowWin est) Log Kaw used: -2.603 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 9.353 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.4712 Biowin2 (Non-Linear Model) : 0.5307 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.2029 (months ) Biowin4 (Primary Survey Model) : 3.2851 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3066 Biowin6 (MITI Non-Linear Model): 0.1411 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.6171 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): 0.0293 Pa (0.00022 mm Hg) Log Koa (Koawin est ): 9.353 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.000102 Octanol/air (Koa) model: 0.000553 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.00368 Mackay model : 0.00812 Octanol/air (Koa) model: 0.0424 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 33.1446 E-12 cm3/molecule-sec Half-Life = 0.323 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 3.872 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.0059 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 2.382E+004 Log Koc: 4.377 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 1.205E-001 L/mol-sec Kb Half-Life at pH 8: 66.571 days Kb Half-Life at pH 7: 1.823 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 4.499 (BCF = 3.158e+004) log Kow used: 6.75 (estimated) Volatilization from Water: Henry LC: 6.1E-005 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 18.03 hours Half-Life from Model Lake : 339.1 hours (14.13 days) Removal In Wastewater Treatment: Total removal: 93.70 percent Total biodegradation: 0.78 percent Total sludge adsorption: 92.91 percent Total to Air: 0.01 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.0775 7.74 1000 Water 1.71 1.44e+003 1000 Soil 31.5 2.88e+003 1000 Sediment 66.7 1.3e+004 0 Persistence Time: 4.4e+003 hr
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