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1-(2-Methyl-2-propen-1-yl)naphthalene
CC(=C)Cc1cccc2c1cccc2
InChI=1S/C14H14/c1-11(2)10-13-8-5-7-12-6-3-4-9-14(12)13/h3-9H,1,10H2,2H3
PCQQEIJTESQZOA-UHFFFAOYSA-N
CSID:19420982, http://www.chemspider.com/Chemical-Structure.19420982.html (accessed 23:51, Apr 29, 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) = 5.11 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 292.88 (Adapted Stein & Brown method) Melting Pt (deg C): 43.83 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.00192 (Modified Grain method) Subcooled liquid VP: 0.00285 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): 2.325 log Kow used: 5.11 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.68746 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.19E-003 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.981E-004 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.11 (KowWin est) Log Kaw used: -1.313 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 6.423 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7154 Biowin2 (Non-Linear Model) : 0.7306 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.7215 (weeks-months) Biowin4 (Primary Survey Model) : 3.5162 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.1845 Biowin6 (MITI Non-Linear Model): 0.1253 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.1803 Ready Biodegradability Prediction: NO Hydrocarbon Biodegradation (BioHCwin v1.01): LOG BioHC Half-Life (days) : 0.7704 BioHC Half-Life (days) : 5.8935 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 0.38 Pa (0.00285 mm Hg) Log Koa (Koawin est ): 6.423 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 7.89E-006 Octanol/air (Koa) model: 6.5E-007 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.000285 Mackay model : 0.000631 Octanol/air (Koa) model: 5.2E-005 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 106.1427 E-12 cm3/molecule-sec Half-Life = 0.101 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.209 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 1.200000 E-17 cm3/molecule-sec Half-Life = 0.955 Days (at 7E11 mol/cm3) Half-Life = 22.920 Hrs Fraction sorbed to airborne particulates (phi): 0.000458 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.674E+004 Log Koc: 4.224 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 = 3.234 (BCF = 1715) log Kow used: 5.11 (estimated) Volatilization from Water: Henry LC: 0.00119 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 2.042 hours Half-Life from Model Lake : 135.5 hours (5.645 days) Removal In Wastewater Treatment: Total removal: 83.15 percent Total biodegradation: 0.63 percent Total sludge adsorption: 76.57 percent Total to Air: 5.95 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.128 2.19 1000 Water 7.07 900 1000 Soil 72.3 1.8e+003 1000 Sediment 20.5 8.1e+003 0 Persistence Time: 1.18e+003 hr
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