N-Ethyl-5-methyl-2-furamide
O=C(NCC)c1oc(cc1)C CopyCopied
InChI=1S/C8H11NO2/c1-3-9-8(10)7-5-4-6(2)11-7/h4-5H,3H2,1-2H3,(H,9,10) CopyCopied
XJBBNMJVCIYUPM-UHFFFAOYSA-N CopyCopied
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) = 1.36 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 304.60 (Adapted Stein & Brown method) Melting Pt (deg C): 95.34 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.000318 (Modified Grain method) Subcooled liquid VP: 0.00153 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): 5022 log Kow used: 1.36 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 16258 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 7.11E-009 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.276E-008 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.36 (KowWin est) Log Kaw used: -6.537 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 7.897 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.9394 Biowin2 (Non-Linear Model) : 0.9837 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.7316 (weeks-months) Biowin4 (Primary Survey Model) : 3.7636 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4908 Biowin6 (MITI Non-Linear Model): 0.4964 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.3480 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): 0.204 Pa (0.00153 mm Hg) Log Koa (Koawin est ): 7.897 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.47E-005 Octanol/air (Koa) model: 1.94E-005 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.000531 Mackay model : 0.00118 Octanol/air (Koa) model: 0.00155 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 106.0145 E-12 cm3/molecule-sec Half-Life = 0.101 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.211 Hrs Ozone Reaction: No Ozone Reaction Estimation Reaction With Nitrate Radicals May Be Important! Fraction sorbed to airborne particulates (phi): 0.000853 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 121.2 Log Koc: 2.084 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 = 0.351 (BCF = 2.242) log Kow used: 1.36 (estimated) Volatilization from Water: Henry LC: 7.11E-009 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.019E+005 hours (4247 days) Half-Life from Model Lake : 1.112E+006 hours (4.633E+004 days) Removal In Wastewater Treatment: Total removal: 1.94 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.85 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 0.0571 2.42 1000 Water 38.1 900 1000 Soil 61.8 1.8e+003 1000 Sediment 0.0898 8.1e+003 0 Persistence Time: 925 hr
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