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6,8-Dimethyl-1-methylene-2-(4-methylphenyl)-1,4-dihydronaphthalene
Cc1ccc(cc1)C2=CCc3cc(cc(c3C2=C)C)C
InChI=1S/C20H20/c1-13-5-7-17(8-6-13)19-10-9-18-12-14(2)11-15(3)20(18)16(19)4/h5-8,10-12H,4,9H2,1-3H3
LPUBIDJYIRFDOT-UHFFFAOYSA-N
CSID:5042598, http://www.chemspider.com/Chemical-Structure.5042598.html (accessed 19:04, May 21, 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) = 7.56 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 367.50 (Adapted Stein & Brown method) Melting Pt (deg C): 123.33 (Mean or Weighted MP) VP(mm Hg,25 deg C): 5.31E-006 (Modified Grain method) Subcooled liquid VP: 5.05E-005 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): 0.007252 log Kow used: 7.56 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.0034881 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.21E-004 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.509E-004 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 7.56 (KowWin est) Log Kaw used: -2.306 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 9.866 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8423 Biowin2 (Non-Linear Model) : 0.8348 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.3244 (weeks-months) Biowin4 (Primary Survey Model) : 3.1979 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.0741 Biowin6 (MITI Non-Linear Model): 0.0327 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.1942 Ready Biodegradability Prediction: NO Hydrocarbon Biodegradation (BioHCwin v1.01): LOG BioHC Half-Life (days) : 1.5961 BioHC Half-Life (days) : 39.4575 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 0.00673 Pa (5.05E-005 mm Hg) Log Koa (Koawin est ): 9.866 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.000446 Octanol/air (Koa) model: 0.0018 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.0158 Mackay model : 0.0344 Octanol/air (Koa) model: 0.126 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 227.1718 E-12 cm3/molecule-sec Half-Life = 0.047 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.565 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 758.160034 E-17 cm3/molecule-sec Half-Life = 0.002 Days (at 7E11 mol/cm3) Half-Life = 2.177 Min Fraction sorbed to airborne particulates (phi): 0.0251 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 5.08E+005 Log Koc: 5.706 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Rate constants can NOT be estimated for this structure! Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 4.044 (BCF = 1.106e+004) log Kow used: 7.56 (estimated) Volatilization from Water: Henry LC: 0.000121 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 9.454 hours Half-Life from Model Lake : 238.4 hours (9.935 days) Removal In Wastewater Treatment: Total removal: 93.98 percent Total biodegradation: 0.78 percent Total sludge adsorption: 93.20 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 0.000556 0.0352 1000 Water 1.97 900 1000 Soil 28.3 1.8e+003 1000 Sediment 69.7 8.1e+003 0 Persistence Time: 3.06e+003 hr
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