3,3,3-Trifluoro-2-(heptafluoropropoxy)propanoyl fluoride
FC(F)(C(F)(F)OC(C(F)=O)C(F)(F)F)C(F)(F)F
InChI=1S/C6HF11O2/c7-2(18)1(3(8,9)10)19-6(16,17)4(11,12)5(13,14)15/h1H
GMQUBIZWYMMFSP-UHFFFAOYSA-N
CSID:9100296, http://www.chemspider.com/Chemical-Structure.9100296.html (accessed 18:50, Dec 8, 2023)
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) = 2.18 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 103.52 (Adapted Stein & Brown method) Melting Pt (deg C): -47.83 (Mean or Weighted MP) VP(mm Hg,25 deg C): 37.4 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 139.5 log Kow used: 2.18 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 40.217 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Acid Chloride/Halide Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.93E-001 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.108E-001 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.18 (KowWin est) Log Kaw used: 1.078 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 1.102 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : -1.1580 Biowin2 (Non-Linear Model) : 0.0000 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.0463 (recalcitrant) Biowin4 (Primary Survey Model) : 2.5292 (weeks-months) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.0550 Biowin6 (MITI Non-Linear Model): 0.0000 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.2555 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): 4.73E+003 Pa (35.5 mm Hg) Log Koa (Koawin est ): 1.102 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 6.34E-010 Octanol/air (Koa) model: 3.1E-012 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 2.29E-008 Mackay model : 5.07E-008 Octanol/air (Koa) model: 2.48E-010 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 0.0018 E-12 cm3/molecule-sec Half-Life = 5795.034 Days (12-hr day; 1.5E6 OH/cm3) Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 3.68E-008 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 271.3 Log Koc: 2.433 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 = 0.979 (BCF = 9.524) log Kow used: 2.18 (estimated) Volatilization from Water: Henry LC: 0.293 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.812 hours Half-Life from Model Lake : 168.4 hours (7.015 days) Removal In Wastewater Treatment (recommended maximum 95%): Total removal: 99.13 percent Total biodegradation: 0.02 percent Total sludge adsorption: 0.62 percent Total to Air: 98.49 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 49.1 1.39e+005 1000 Water 50 4.32e+003 1000 Soil 0.644 8.64e+003 1000 Sediment 0.259 3.89e+004 0 Persistence Time: 182 hr
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