Try beta.chemspider
4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-Heptadecafluoroundecanoic acid
C(CC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C(=O)O
InChI=1S/C11H5F17O2/c12-4(13,2-1-3(29)30)5(14,15)6(16,17)7(18,19)8(20,21)9(22,23)10(24,25)11(26,27)28/h1-2H2,(H,29,30)
JZRCRCFPVAXHHQ-UHFFFAOYSA-N
CSID:2062568, http://www.chemspider.com/Chemical-Structure.2062568.html (accessed 23:43, 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) = 8.25 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 257.90 (Adapted Stein & Brown method) Melting Pt (deg C): 60.33 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.00831 (Modified Grain method) Subcooled liquid VP: 0.0177 mm Hg (25 deg C, Mod-Grain method) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 0.0001807 log Kow used: 8.25 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 8.8907e-006 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 : 8.41E-001 atm-m3/mole Group Method: 1.41E+001 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 2.978E+001 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 8.25 (KowWin est) Log Kaw used: 1.536 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 6.714 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : -1.2220 Biowin2 (Non-Linear Model) : 0.0000 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 0.4784 (recalcitrant) Biowin4 (Primary Survey Model) : 2.1748 (months ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2968 Biowin6 (MITI Non-Linear Model): 0.0000 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.2648 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): 2.36 Pa (0.0177 mm Hg) Log Koa (Koawin est ): 6.714 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.27E-006 Octanol/air (Koa) model: 1.27E-006 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 4.59E-005 Mackay model : 0.000102 Octanol/air (Koa) model: 0.000102 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 1.4023 E-12 cm3/molecule-sec Half-Life = 7.627 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 91.530 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 7.38E-005 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 4.047E+005 Log Koc: 5.607 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 = 1.000 (BCF = 10) log Kow used: 8.25 (estimated) Volatilization from Water: Henry LC: 14.1 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 2.264 hours Half-Life from Model Lake : 210.7 hours (8.78 days) Removal In Wastewater Treatment (recommended maximum 95%): Total removal: 97.58 percent Total biodegradation: 0.42 percent Total sludge adsorption: 73.38 percent Total to Air: 23.78 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.333 183 1000 Water 0.85 4.32e+003 1000 Soil 31.4 8.64e+003 1000 Sediment 67.4 3.89e+004 0 Persistence Time: 9.39e+003 hr
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