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Methyl {[(benzyloxy)carbonyl]amino}(methoxy)acetate
COC(C(=O)OC)NC(=O)OCC1=CC=CC=C1
InChI=1S/C12H15NO5/c1-16-10(11(14)17-2)13-12(15)18-8-9-6-4-3-5-7-9/h3-7,10H,8H2,1-2H3,(H,13,15)
NNBQAZBSJUATDO-UHFFFAOYSA-N
CSID:8419452, http://www.chemspider.com/Chemical-Structure.8419452.html (accessed 09:40, Apr 26, 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) = 1.41 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 316.04 (Adapted Stein & Brown method) Melting Pt (deg C): 5.82 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.000829 (Modified Grain method) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 1406 log Kow used: 1.41 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 42716 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Esters Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 5.51E-010 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.965E-007 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.41 (KowWin est) Log Kaw used: -7.647 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 9.057 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6614 Biowin2 (Non-Linear Model) : 0.9464 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.7463 (weeks-months) Biowin4 (Primary Survey Model) : 3.9001 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.1960 Biowin6 (MITI Non-Linear Model): 0.1663 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.1594 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): 0.111 Pa (0.000829 mm Hg) Log Koa (Koawin est ): 9.057 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 2.71E-005 Octanol/air (Koa) model: 0.00028 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.000979 Mackay model : 0.00217 Octanol/air (Koa) model: 0.0219 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 40.5895 E-12 cm3/molecule-sec Half-Life = 0.264 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 3.162 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.00157 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 32.37 Log Koc: 1.510 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 1.426E-001 L/mol-sec Kb Half-Life at pH 8: 56.273 days Kb Half-Life at pH 7: 1.541 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 0.389 (BCF = 2.45) log Kow used: 1.41 (estimated) Volatilization from Water: Henry LC: 5.51E-010 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.691E+006 hours (7.046E+004 days) Half-Life from Model Lake : 1.845E+007 hours (7.686E+005 days) Removal In Wastewater Treatment: Total removal: 1.95 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.86 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 0.0064 6.32 1000 Water 34.7 900 1000 Soil 65.2 1.8e+003 1000 Sediment 0.0837 8.1e+003 0 Persistence Time: 1.15e+003 hr
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