Try beta.chemspider
1-Ethoxy-1,1,2,2,3,3,4,4,4-nonafluorobutane
CCOC(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI=1S/C6H5F9O/c1-2-16-6(14,15)4(9,10)3(7,8)5(11,12)13/h2H2,1H3
DFUYAWQUODQGFF-UHFFFAOYSA-N
CSID:178496, http://www.chemspider.com/Chemical-Structure.178496.html (accessed 16:55, Jul 4, 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) = 4.42 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 46.45 (Adapted Stein & Brown method) Melting Pt (deg C): -82.55 (Mean or Weighted MP) VP(mm Hg,25 deg C): 350 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 3.301 log Kow used: 4.42 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 2.8756 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.31E+000 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 3.684E+001 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.42 (KowWin est) Log Kaw used: 1.729 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 2.691 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : -0.7978 Biowin2 (Non-Linear Model) : 0.0000 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.4576 (recalcitrant) Biowin4 (Primary Survey Model) : 2.7223 (weeks-months) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3370 Biowin6 (MITI Non-Linear Model): 0.0000 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.4774 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): 4.63E+004 Pa (347 mm Hg) Log Koa (Koawin est ): 2.691 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 6.48E-011 Octanol/air (Koa) model: 1.21E-010 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 2.34E-009 Mackay model : 5.19E-009 Octanol/air (Koa) model: 9.64E-009 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 0.6628 E-12 cm3/molecule-sec Half-Life = 16.138 Days (12-hr day; 1.5E6 OH/cm3) Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 3.76E-009 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 956.2 Log Koc: 2.981 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 = 2.705 (BCF = 507) log Kow used: 4.42 (estimated) Volatilization from Water: Henry LC: 1.31 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.659 hours Half-Life from Model Lake : 154.4 hours (6.432 days) Removal In Wastewater Treatment (recommended maximum 95%): Total removal: 99.85 percent Total biodegradation: 0.10 percent Total sludge adsorption: 30.72 percent Total to Air: 69.03 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 25.4 387 1000 Water 30.6 4.32e+003 1000 Soil 5.67 8.64e+003 1000 Sediment 38.4 3.89e+004 0 Persistence Time: 297 hr
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