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N-cyclobutyl-2-fluoro-acetamide
FCC(=O)NC1CCC1
InChI=1S/C6H10FNO/c7-4-6(9)8-5-2-1-3-5/h5H,1-4H2,(H,8,9)
XXYJKOQYSDTOSV-UHFFFAOYSA-N
CSID:8504784, http://www.chemspider.com/Chemical-Structure.8504784.html (accessed 08:21, Jul 15, 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) = 0.86 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 254.66 (Adapted Stein & Brown method) Melting Pt (deg C): 61.01 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.00967 (Modified Grain method) Subcooled liquid VP: 0.0209 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): 1.683e+004 log Kow used: 0.86 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 35410 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Haloacetamides Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 5.04E-008 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 9.915E-008 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 0.86 (KowWin est) Log Kaw used: -5.686 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 6.546 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8953 Biowin2 (Non-Linear Model) : 0.9789 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.8551 (weeks ) Biowin4 (Primary Survey Model) : 3.8639 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.5870 Biowin6 (MITI Non-Linear Model): 0.0338 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.0264 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): 2.79 Pa (0.0209 mm Hg) Log Koa (Koawin est ): 6.546 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.08E-006 Octanol/air (Koa) model: 8.63E-007 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 3.89E-005 Mackay model : 8.61E-005 Octanol/air (Koa) model: 6.9E-005 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 10.1222 E-12 cm3/molecule-sec Half-Life = 1.057 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 12.680 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 6.25E-005 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 19.52 Log Koc: 1.290 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: 0.86 (estimated) Volatilization from Water: Henry LC: 5.04E-008 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.33E+004 hours (554.4 days) Half-Life from Model Lake : 1.452E+005 hours (6052 days) Removal In Wastewater Treatment: Total removal: 1.88 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.78 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 0.803 25.4 1000 Water 38.3 360 1000 Soil 60.8 720 1000 Sediment 0.0749 3.24e+003 0 Persistence Time: 499 hr
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