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3-[(2-Methoxyphenyl)carbamoyl]-2-naphthyl acetate
CC(=O)Oc1cc2ccccc2cc1C(=O)Nc3ccccc3OC
InChI=1S/C20H17NO4/c1-13(22)25-19-12-15-8-4-3-7-14(15)11-16(19)20(23)21-17-9-5-6-10-18(17)24-2/h3-12H,1-2H3,(H,21,23)
RKCVQLUEWCVWTN-UHFFFAOYSA-N
CSID:73584, http://www.chemspider.com/Chemical-Structure.73584.html (accessed 00:56, May 3, 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) = 2.99 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 522.42 (Adapted Stein & Brown method) Melting Pt (deg C): 223.07 (Mean or Weighted MP) VP(mm Hg,25 deg C): 5.62E-011 (Modified Grain method) Subcooled liquid VP: 7.4E-009 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): 21.21 log Kow used: 2.99 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.61349 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Esters Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 8.49E-014 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.169E-012 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.99 (KowWin est) Log Kaw used: -11.460 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 14.450 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 1.1041 Biowin2 (Non-Linear Model) : 0.9993 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.4859 (weeks-months) Biowin4 (Primary Survey Model) : 3.8754 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4630 Biowin6 (MITI Non-Linear Model): 0.2208 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.4954 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): 9.87E-007 Pa (7.4E-009 mm Hg) Log Koa (Koawin est ): 14.450 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 3.04 Octanol/air (Koa) model: 69.2 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.991 Mackay model : 0.996 Octanol/air (Koa) model: 1 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 23.7743 E-12 cm3/molecule-sec Half-Life = 0.450 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 5.399 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.993 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1310 Log Koc: 3.117 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 = 1.602 (BCF = 40.04) log Kow used: 2.99 (estimated) Volatilization from Water: Henry LC: 8.49E-014 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.263E+010 hours (5.262E+008 days) Half-Life from Model Lake : 1.378E+011 hours (5.74E+009 days) Removal In Wastewater Treatment: Total removal: 5.61 percent Total biodegradation: 0.12 percent Total sludge adsorption: 5.48 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 0.000115 10.8 1000 Water 12.9 900 1000 Soil 86.8 1.8e+003 1000 Sediment 0.287 8.1e+003 0 Persistence Time: 1.78e+003 hr
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