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(Pentafluoroethyl)phosphonate
FC(F)(F)C(F)(F)P([O-])([O-])=O
InChI=1S/C2H2F5O3P/c3-1(4,5)2(6,7)11(8,9)10/h(H2,8,9,10)/p-2
XLWUDBRTNPGWDQ-UHFFFAOYSA-L
CSID:5422718, http://www.chemspider.com/Chemical-Structure.5422718.html (accessed 00:21, Jul 7, 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) = 0.68 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 239.36 (Adapted Stein & Brown method) Melting Pt (deg C): 14.15 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.00408 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 1.139e+004 log Kow used: 0.68 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 46216 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics-acid Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 5.04E-010 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 9.427E-008 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 0.68 (KowWin est) Log Kaw used: -7.686 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 8.366 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : -0.0520 Biowin2 (Non-Linear Model) : 0.0007 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.0321 (months ) Biowin4 (Primary Survey Model) : 3.1313 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2716 Biowin6 (MITI Non-Linear Model): 0.0000 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.5019 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): 0.515 Pa (0.00386 mm Hg) Log Koa (Koawin est ): 8.366 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 5.83E-006 Octanol/air (Koa) model: 5.7E-005 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.00021 Mackay model : 0.000466 Octanol/air (Koa) model: 0.00454 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 0.2800 E-12 cm3/molecule-sec Half-Life = 38.200 Days (12-hr day; 1.5E6 OH/cm3) Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.000338 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 20.81 Log Koc: 1.318 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: 0.68 (estimated) Volatilization from Water: Henry LC: 5.04E-010 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.643E+006 hours (6.845E+004 days) Half-Life from Model Lake : 1.792E+007 hours (7.468E+005 days) Removal In Wastewater Treatment: Total removal: 1.87 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.77 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 0.0056 917 1000 Water 46.3 1.44e+003 1000 Soil 53.6 2.88e+003 1000 Sediment 0.0942 1.3e+004 0 Persistence Time: 1.23e+003 hr
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