2-Acetamidoethyl acetate
O=C(NCCOC(=O)C)C CopyCopied
InChI=1S/C6H11NO3/c1-5(8)7-3-4-10-6(2)9/h3-4H2,1-2H3,(H,7,8) CopyCopied
SKPWGBMKZNVXFF-UHFFFAOYSA-N CopyCopied
Validated by Experts, Validated by Users, Non-Validated, Removed by Users, Redirected by Users, Redirect Approved by Experts
240-317-3 [EINECS]
2-Acetamidoethyl acetate [ACD/IUPAC Name]
acetamide, N-[2-(acetyloxy)ethyl]-
16180-96-4 [RN]
2-(acetylamino)ethyl acetate
Acetamide, N-(2-(acetyloxy)ethyl)-
N-(2-(Acetyloxy)ethyl)acetamide
ZINC04280499 [DBID]
Predicted data is generated using the ACD/Labs’ ACD/PhysChem Suite, for more information see their website.
Predicted data is generated using the US Environmental Protection Agency’s EPISuite, for more information see their website.
Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = -0.66 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 285.75 (Adapted Stein & Brown method) Melting Pt (deg C): 74.96 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.00139 (Modified Grain method) Subcooled liquid VP: 0.00415 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): 2.941e+005 log Kow used: -0.66 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1e+006 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Esters Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 7.76E-011 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 9.027E-010 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: -0.66 (KowWin est) Log Kaw used: -8.499 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 7.839 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 1.0628 Biowin2 (Non-Linear Model) : 0.9996 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.9644 (weeks ) Biowin4 (Primary Survey Model) : 4.0727 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.8503 Biowin6 (MITI Non-Linear Model): 0.9286 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.3329 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): 0.553 Pa (0.00415 mm Hg) Log Koa (Koawin est ): 7.839 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 5.42E-006 Octanol/air (Koa) model: 1.69E-005 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.000196 Mackay model : 0.000434 Octanol/air (Koa) model: 0.00135 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 12.1924 E-12 cm3/molecule-sec Half-Life = 0.877 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 10.527 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.000315 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 10 Log Koc: 1.000 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 1.601E-001 L/mol-sec Kb Half-Life at pH 8: 50.094 days Kb Half-Life at pH 7: 1.371 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 0.500 (BCF = 3.162) log Kow used: -0.66 (estimated) Volatilization from Water: Henry LC: 7.76E-011 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 9.09E+006 hours (3.788E+005 days) Half-Life from Model Lake : 9.917E+007 hours (4.132E+006 days) Removal In Wastewater Treatment: Total removal: 1.85 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.76 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 0.00183 21.1 1000 Water 38.9 360 1000 Soil 61 720 1000 Sediment 0.0713 3.24e+003 0 Persistence Time: 579 hr
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