2-Naphthyl acetate
CC(=O)Oc1ccc2ccccc2c1
InChI=1S/C12H10O2/c1-9(13)14-12-7-6-10-4-2-3-5-11(10)8-12/h2-8H,1H3
RJNPPEUAJCEUPV-UHFFFAOYSA-N
CSID:66352, http://www.chemspider.com/Chemical-Structure.66352.html (accessed 15:23, Apr 16, 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) = 2.77 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 301.83 (Adapted Stein & Brown method) Melting Pt (deg C): 64.19 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.000761 (Modified Grain method) Subcooled liquid VP: 0.00177 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): 223 log Kow used: 2.77 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 63.503 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Esters Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 6.33E-006 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 8.361E-007 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.77 (KowWin est) Log Kaw used: -3.587 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 6.357 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8331 Biowin2 (Non-Linear Model) : 0.9884 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.9279 (weeks ) Biowin4 (Primary Survey Model) : 3.8080 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.5598 Biowin6 (MITI Non-Linear Model): 0.6122 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.2604 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): 0.236 Pa (0.00177 mm Hg) Log Koa (Koawin est ): 6.357 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.27E-005 Octanol/air (Koa) model: 5.58E-007 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.000459 Mackay model : 0.00102 Octanol/air (Koa) model: 4.47E-005 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 22.3190 E-12 cm3/molecule-sec Half-Life = 0.479 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 5.751 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.000737 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 805 Log Koc: 2.906 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 1.306E+000 L/mol-sec Kb Half-Life at pH 8: 6.143 days Kb Half-Life at pH 7: 61.430 days Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 1.430 (BCF = 26.89) log Kow used: 2.77 (estimated) Volatilization from Water: Henry LC: 6.33E-006 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 127.6 hours (5.317 days) Half-Life from Model Lake : 1507 hours (62.77 days) Removal In Wastewater Treatment: Total removal: 4.49 percent Total biodegradation: 0.11 percent Total sludge adsorption: 4.03 percent Total to Air: 0.35 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 1.07 11.5 1000 Water 25.8 360 1000 Soil 72.9 720 1000 Sediment 0.284 3.24e+003 0 Persistence Time: 453 hr
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