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1-Ethoxynaphthalene
CCOc1cccc2c1cccc2
InChI=1S/C12H12O/c1-2-13-12-9-5-7-10-6-3-4-8-11(10)12/h3-9H,2H2,1H3
APWZAIZNWQFZBK-UHFFFAOYSA-N
CSID:20115, http://www.chemspider.com/Chemical-Structure.20115.html (accessed 02:14, Jul 7, 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) = 3.74 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 283.43 (Adapted Stein & Brown method) Melting Pt (deg C): 48.77 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.00546 (Modified Grain method) MP (exp database): 5.5 deg C BP (exp database): 280.5 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 38.32 log Kow used: 3.74 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 7.1465 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 4.13E-005 atm-m3/mole Group Method: 4.06E-004 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 3.229E-005 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.74 (KowWin est) Log Kaw used: -2.773 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 6.513 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7975 Biowin2 (Non-Linear Model) : 0.9433 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.7604 (weeks ) Biowin4 (Primary Survey Model) : 3.6764 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.5023 Biowin6 (MITI Non-Linear Model): 0.5415 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.2925 Ready Biodegradability Prediction: YES Hydrocarbon Biodegradation (BioHCwin v1.01): Structure incompatible with current estimation method! Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 0.728 Pa (0.00546 mm Hg) Log Koa (Koawin est ): 6.513 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 4.12E-006 Octanol/air (Koa) model: 8E-007 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.000149 Mackay model : 0.00033 Octanol/air (Koa) model: 6.4E-005 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 206.1734 E-12 cm3/molecule-sec Half-Life = 0.052 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.623 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.000239 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 2462 Log Koc: 3.391 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 = 2.181 (BCF = 151.6) log Kow used: 3.74 (estimated) Volatilization from Water: Henry LC: 0.000406 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 3.232 hours Half-Life from Model Lake : 145.3 hours (6.054 days) Removal In Wastewater Treatment: Total removal: 31.00 percent Total biodegradation: 0.21 percent Total sludge adsorption: 18.24 percent Total to Air: 12.56 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.196 1.25 1000 Water 18 360 1000 Soil 80.5 720 1000 Sediment 1.31 3.24e+003 0 Persistence Time: 415 hr
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