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2-Ethyl-3-propyl-2-oxiranecarboxamide
CCCC1C(O1)(CC)C(=O)N
InChI=1S/C8H15NO2/c1-3-5-6-8(4-2,11-6)7(9)10/h6H,3-5H2,1-2H3,(H2,9,10)
WBLPIVIXQOFTPQ-UHFFFAOYSA-N
CSID:29098, http://www.chemspider.com/Chemical-Structure.29098.html (accessed 23:34, Apr 25, 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) = 1.72 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 296.08 (Adapted Stein & Brown method) Melting Pt (deg C): 95.92 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.000568 (Modified Grain method) MP (exp database): 90 deg C Subcooled liquid VP: 0.0024 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): 2402 log Kow used: 1.72 (estimated) no-melting pt equation used Water Sol (Exper. database match) = 1.05e+004 mg/L (30 deg C) Exper. Ref: MERCK INDEX (1996) Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1.2129e+005 mg/L Wat Sol (Exper. database match) = 10500.00 Exper. Ref: MERCK INDEX (1996) ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Epoxides Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 5.33E-010 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 4.891E-008 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.72 (KowWin est) Log Kaw used: -7.662 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 9.382 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.3516 Biowin2 (Non-Linear Model) : 0.1564 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.5767 (weeks-months) Biowin4 (Primary Survey Model) : 3.6632 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.6017 Biowin6 (MITI Non-Linear Model): 0.5897 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.3650 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): 0.32 Pa (0.0024 mm Hg) Log Koa (Koawin est ): 9.382 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 9.37E-006 Octanol/air (Koa) model: 0.000592 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.000339 Mackay model : 0.000749 Octanol/air (Koa) model: 0.0452 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 9.6744 E-12 cm3/molecule-sec Half-Life = 1.106 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 13.267 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.000544 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 19.81 Log Koc: 1.297 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Ka (acid-catalyzed) at 25 deg C : 1.781E-004 L/mol-sec Ka Half-Life at pH 7: 1233.451 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 0.623 (BCF = 4.198) log Kow used: 1.72 (estimated) Volatilization from Water: Henry LC: 5.33E-010 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.377E+006 hours (5.739E+004 days) Half-Life from Model Lake : 1.503E+007 hours (6.26E+005 days) Removal In Wastewater Treatment: Total removal: 2.06 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.96 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 0.00565 26.5 1000 Water 28.5 900 1000 Soil 71.4 1.8e+003 1000 Sediment 0.0836 8.1e+003 0 Persistence Time: 1.28e+003 hr
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