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Methyl pentadecafluorooctanoate
COC(=O)C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI=1S/C9H3F15O2/c1-26-2(25)3(10,11)4(12,13)5(14,15)6(16,17)7(18,19)8(20,21)9(22,23)24/h1H3
XOCNYZFAMHDXJK-UHFFFAOYSA-N
CSID:61141, http://www.chemspider.com/Chemical-Structure.61141.html (accessed 00:57, May 18, 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) = 6.59 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 143.87 (Adapted Stein & Brown method) Melting Pt (deg C): -21.75 (Mean or Weighted MP) VP(mm Hg,25 deg C): 2.76 (Mean VP of Antoine & Grain methods) BP (exp database): 158 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 0.004865 log Kow used: 6.59 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.00025338 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Esters Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.91E+001 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 3.196E+002 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 6.59 (KowWin est) Log Kaw used: 3.075 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 3.515 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : -0.9061 Biowin2 (Non-Linear Model) : 0.0000 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 0.6077 (recalcitrant) Biowin4 (Primary Survey Model) : 2.2640 (weeks-months) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4491 Biowin6 (MITI Non-Linear Model): 0.0000 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.0770 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): 336 Pa (2.52 mm Hg) Log Koa (Koawin est ): 3.515 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 8.93E-009 Octanol/air (Koa) model: 8.04E-010 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 3.22E-007 Mackay model : 7.14E-007 Octanol/air (Koa) model: 6.43E-008 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 0.1088 E-12 cm3/molecule-sec Half-Life = 98.309 Days (12-hr day; 1.5E6 OH/cm3) Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 5.18E-007 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.424E+005 Log Koc: 5.154 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 1.740E+003 L/mol-sec Kb Half-Life at pH 8: 6.638 minutes Kb Half-Life at pH 7: 1.106 hours Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 4.371 (BCF = 2.348e+004) log Kow used: 6.59 (estimated) Volatilization from Water: Henry LC: 29.1 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 2.111 hours Half-Life from Model Lake : 196.5 hours (8.189 days) Removal In Wastewater Treatment (recommended maximum 95%): Total removal: 99.95 percent Total biodegradation: 0.18 percent Total sludge adsorption: 59.75 percent Total to Air: 40.02 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 1.39 2.36e+003 1000 Water 1.65 4.32e+003 1000 Soil 2.11 8.64e+003 1000 Sediment 94.9 3.89e+004 0 Persistence Time: 5.02e+003 hr
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