N-[2-(3-Hydroxy-7-methoxy-1-naphthyl)ethyl]acetamide
O=C(NCCc1c2c(cc(O)c1)ccc(OC)c2)C
InChI=1S/C15H17NO3/c1-10(17)16-6-5-12-8-13(18)7-11-3-4-14(19-2)9-15(11)12/h3-4,7-9,18H,5-6H2,1-2H3,(H,16,17)
VUBBOOVHTBZRTJ-UHFFFAOYSA-N
CSID:8575782, http://www.chemspider.com/Chemical-Structure.8575782.html (accessed 20:13, Dec 3, 2023)
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) = 2.28 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 458.53 (Adapted Stein & Brown method) Melting Pt (deg C): 193.23 (Mean or Weighted MP) VP(mm Hg,25 deg C): 8.21E-010 (Modified Grain method) Subcooled liquid VP: 4.8E-008 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): 902.5 log Kow used: 2.28 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 2071.2 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Phenols Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.58E-015 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 3.104E-013 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.28 (KowWin est) Log Kaw used: -13.190 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 15.470 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 1.1366 Biowin2 (Non-Linear Model) : 0.9968 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.4953 (weeks-months) Biowin4 (Primary Survey Model) : 3.7273 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3624 Biowin6 (MITI Non-Linear Model): 0.2110 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.2051 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): 6.4E-006 Pa (4.8E-008 mm Hg) Log Koa (Koawin est ): 15.470 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.469 Octanol/air (Koa) model: 724 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.944 Mackay model : 0.974 Octanol/air (Koa) model: 1 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 212.4306 E-12 cm3/molecule-sec Half-Life = 0.050 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.604 Hrs Ozone Reaction: No Ozone Reaction Estimation Reaction With Nitrate Radicals May Be Important! Fraction sorbed to airborne particulates (phi): 0.959 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 7616 Log Koc: 3.882 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 = 1.055 (BCF = 11.35) log Kow used: 2.28 (estimated) Volatilization from Water: Henry LC: 1.58E-015 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 5.967E+011 hours (2.486E+010 days) Half-Life from Model Lake : 6.51E+012 hours (2.712E+011 days) Removal In Wastewater Treatment: Total removal: 2.60 percent Total biodegradation: 0.10 percent Total sludge adsorption: 2.51 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 3.43e-007 1.21 1000 Water 18.6 900 1000 Soil 81.3 1.8e+003 1000 Sediment 0.105 8.1e+003 0 Persistence Time: 1.56e+003 hr
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