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2-Bromo-N-(2-ethoxyethyl)acetamide
O=C(NCCOCC)CBr
InChI=1S/C6H12BrNO2/c1-2-10-4-3-8-6(9)5-7/h2-5H2,1H3,(H,8,9)
IJDKXBADDOCHCT-UHFFFAOYSA-N
CSID:8596056, http://www.chemspider.com/Chemical-Structure.8596056.html (accessed 21:53, Aug 5, 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) = 0.19 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 315.36 (Adapted Stein & Brown method) Melting Pt (deg C): 97.85 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.000169 (Modified Grain method) Subcooled liquid VP: 0.00086 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): 2.67e+004 log Kow used: 0.19 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1.6077e+005 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Haloacetamides Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 5.84E-011 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.750E-009 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 0.19 (KowWin est) Log Kaw used: -8.622 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 8.812 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.4642 Biowin2 (Non-Linear Model) : 0.0057 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.7010 (weeks-months) Biowin4 (Primary Survey Model) : 3.7757 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.5101 Biowin6 (MITI Non-Linear Model): 0.1710 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.3944 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): 0.115 Pa (0.00086 mm Hg) Log Koa (Koawin est ): 8.812 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 2.62E-005 Octanol/air (Koa) model: 0.000159 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.000944 Mackay model : 0.00209 Octanol/air (Koa) model: 0.0126 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 32.2802 E-12 cm3/molecule-sec Half-Life = 0.331 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 3.976 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.00152 (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]: Rate constants can NOT be estimated for this structure! Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 0.500 (BCF = 3.162) log Kow used: 0.19 (estimated) Volatilization from Water: Henry LC: 5.84E-011 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.453E+007 hours (6.054E+005 days) Half-Life from Model Lake : 1.585E+008 hours (6.605E+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 0.000808 7.95 1000 Water 45.4 900 1000 Soil 54.5 1.8e+003 1000 Sediment 0.0885 8.1e+003 0 Persistence Time: 986 hr
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