Try beta.chemspider
2-Fluoroacetamide
C(C(=O)N)F
InChI=1S/C2H4FNO/c3-1-2(4)5/h1H2,(H2,4,5)
FVTWJXMFYOXOKK-UHFFFAOYSA-N
CSID:12025, http://www.chemspider.com/Chemical-Structure.12025.html (accessed 21:48, 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) = -0.90 Log Kow (Exper. database match) = -1.05 Exper. Ref: Hansch,C et al. (1995) Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 179.46 (Adapted Stein & Brown method) Melting Pt (deg C): 12.05 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.138 (Modified Grain method) MP (exp database): 108 deg C Subcooled liquid VP: 0.901 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): 1e+006 log Kow used: -1.05 (expkow database) no-melting pt equation used Water Sol (Exper. database match) = 1e+006 mg/L (25 deg C) Exper. Ref: SHIU,WY ET AL (1990) Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 4.6678e+005 mg/L Wat Sol (Exper. database match) = 1000000.00 Exper. Ref: SHIU,WY ET AL (1990) ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Haloacetamides Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.23E-008 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.399E-008 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: -1.05 (exp database) Log Kaw used: -6.040 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 4.990 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.9210 Biowin2 (Non-Linear Model) : 0.9901 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.9747 (weeks ) Biowin4 (Primary Survey Model) : 3.9420 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.6763 Biowin6 (MITI Non-Linear Model): 0.0854 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.2942 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): 120 Pa (0.901 mm Hg) Log Koa (Koawin est ): 4.990 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 2.5E-008 Octanol/air (Koa) model: 2.4E-008 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 9.02E-007 Mackay model : 2E-006 Octanol/air (Koa) model: 1.92E-006 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 2.0658 E-12 cm3/molecule-sec Half-Life = 5.178 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 62.130 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 1.45E-006 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 10.46 Log Koc: 1.019 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: -1.05 (expkow database) Volatilization from Water: Henry LC: 2.23E-008 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 2.305E+004 hours (960.3 days) Half-Life from Model Lake : 2.515E+005 hours (1.048E+004 days) Removal In Wastewater Treatment: Total removal: 1.85 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.75 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 0.493 124 1000 Water 39.6 360 1000 Soil 59.9 720 1000 Sediment 0.0724 3.24e+003 0 Persistence Time: 552 hr
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