1,1,1,2,2,3,3,4,4,5,5-Undecafluoro-5-iodopentane
C(C(C(F)(F)F)(F)F)(C(C(F)(F)I)(F)F)(F)F
InChI=1S/C5F11I/c6-1(7,2(8,9)4(12,13)14)3(10,11)5(15,16)17
KCEJJSGJNCSQFI-UHFFFAOYSA-N
CSID:62700, http://www.chemspider.com/Chemical-Structure.62700.html (accessed 12:43, Oct 3, 2023)
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) = 5.87 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 97.99 (Adapted Stein & Brown method) Melting Pt (deg C): -53.42 (Mean or Weighted MP) VP(mm Hg,25 deg C): 54.2 (Mean VP of Antoine & Grain methods) MP (exp database): -50 deg C BP (exp database): 94.4 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 0.005693 log Kow used: 5.87 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.0059337 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.62E+002 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 4.960E+003 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.87 (KowWin est) Log Kaw used: 4.030 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 1.840 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : -0.6971 Biowin2 (Non-Linear Model) : 0.0000 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 0.9627 (recalcitrant) Biowin4 (Primary Survey Model) : 2.3883 (weeks-months) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.0042 Biowin6 (MITI Non-Linear Model): 0.0000 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.5008 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): 6.92E+003 Pa (51.9 mm Hg) Log Koa (Koawin est ): 1.840 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 4.34E-010 Octanol/air (Koa) model: 1.7E-011 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1.57E-008 Mackay model : 3.47E-008 Octanol/air (Koa) model: 1.36E-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): 2.52E-008 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 2.216E+004 Log Koc: 4.345 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 = 3.821 (BCF = 6617) log Kow used: 5.87 (estimated) Volatilization from Water: Henry LC: 262 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 2.03 hours Half-Life from Model Lake : 189 hours (7.875 days) Removal In Wastewater Treatment (recommended maximum 95%): Total removal: 100.00 percent Total biodegradation: 0.17 percent Total sludge adsorption: 57.93 percent Total to Air: 41.90 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 3.3 1e+005 1000 Water 3.54 4.32e+003 1000 Soil 0.12 8.64e+003 1000 Sediment 93 3.89e+004 0 Persistence Time: 2.46e+003 hr
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