N-(8-Methoxy-1-methyl-1,2,3,4-tetrahydro-2-naphthalenyl)acetamide
CC1c2c(cccc2OC)CCC1NC(=O)C
InChI=1S/C14H19NO2/c1-9-12(15-10(2)16)8-7-11-5-4-6-13(17-3)14(9)11/h4-6,9,12H,7-8H2,1-3H3,(H,15,16)
WBCQYERBTIPLPF-UHFFFAOYSA-N
CSID:2285497, http://www.chemspider.com/Chemical-Structure.2285497.html (accessed 23:33, Apr 18, 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) = 1.92 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 382.87 (Adapted Stein & Brown method) Melting Pt (deg C): 142.31 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.41E-006 (Modified Grain method) Subcooled liquid VP: 2.16E-005 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): 673.6 log Kow used: 1.92 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 8216.7 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Vinyl/Allyl Ethers Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.86E-009 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 6.426E-010 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.92 (KowWin est) Log Kaw used: -6.802 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 8.722 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.4993 Biowin2 (Non-Linear Model) : 0.2607 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.6207 (weeks-months) Biowin4 (Primary Survey Model) : 3.7068 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2303 Biowin6 (MITI Non-Linear Model): 0.0442 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.6095 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): 0.00288 Pa (2.16E-005 mm Hg) Log Koa (Koawin est ): 8.722 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.00104 Octanol/air (Koa) model: 0.000129 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.0363 Mackay model : 0.0769 Octanol/air (Koa) model: 0.0102 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 332.0158 E-12 cm3/molecule-sec Half-Life = 0.032 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 23.195 Min Ozone Reaction: OVERALL Ozone Rate Constant = 171.287506 E-17 cm3/molecule-sec Half-Life = 0.007 Days (at 7E11 mol/cm3) Half-Life = 9.634 Min Fraction sorbed to airborne particulates (phi): 0.0566 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 338.6 Log Koc: 2.530 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 = 0.776 (BCF = 5.971) log Kow used: 1.92 (estimated) Volatilization from Water: Henry LC: 3.86E-009 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 2.317E+005 hours (9654 days) Half-Life from Model Lake : 2.528E+006 hours (1.053E+005 days) Removal In Wastewater Treatment: Total removal: 2.18 percent Total biodegradation: 0.09 percent Total sludge adsorption: 2.08 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 0.00666 0.133 1000 Water 30.8 900 1000 Soil 69.1 1.8e+003 1000 Sediment 0.109 8.1e+003 0 Persistence Time: 863 hr
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