Try beta.chemspider
Tetrafluorooxirane
C1(C(O1)(F)F)(F)F
InChI=1S/C2F4O/c3-1(4)2(5,6)7-1
LOUICXNAWQPGSU-UHFFFAOYSA-N
CSID:62865, http://www.chemspider.com/Chemical-Structure.62865.html (accessed 05:03, Jun 1, 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) = 1.10 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): -22.15 (Adapted Stein & Brown method) Melting Pt (deg C): -98.51 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.02E+004 (Mean VP of Antoine & Grain methods) MP (exp database): -118 deg C BP (exp database): -63.5 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 1.182e+004 log Kow used: 1.10 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 7129.4 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Epoxides Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.88E-003 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 9.816E-003 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.10 (KowWin est) Log Kaw used: -1.114 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 2.214 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : -0.0229 Biowin2 (Non-Linear Model) : 0.0040 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.5099 (weeks-months) Biowin4 (Primary Survey Model) : 3.3637 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.5732 Biowin6 (MITI Non-Linear Model): 0.0000 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.0896 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): 8.64E+005 Pa (6.48E+003 mm Hg) Log Koa (Koawin est ): 2.214 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 3.47E-012 Octanol/air (Koa) model: 4.02E-011 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1.25E-010 Mackay model : 2.78E-010 Octanol/air (Koa) model: 3.21E-009 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 0.0000 E-12 cm3/molecule-sec Half-Life = ------- Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 2.02E-010 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 8.543 Log Koc: 0.932 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Ka (acid-catalyzed) at 25 deg C : 1.130E-026 L/mol-sec Ka Half-Life at pH 7: 1.943E+025 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 0.151 (BCF = 1.414) log Kow used: 1.10 (estimated) Volatilization from Water: Henry LC: 0.00188 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.435 hours Half-Life from Model Lake : 106 hours (4.415 days) Removal In Wastewater Treatment: Total removal: 44.09 percent Total biodegradation: 0.06 percent Total sludge adsorption: 1.15 percent Total to Air: 42.89 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 44.2 1e+005 1000 Water 46.2 900 1000 Soil 9.54 1.8e+003 1000 Sediment 0.0997 8.1e+003 0 Persistence Time: 190 hr
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