Try beta.chemspider
1,1,1,2,2,4,5,5,5-Nonafluoro-4-(trifluoromethyl)-3-pentanone
C(=O)(C(C(F)(F)F)(C(F)(F)F)F)C(C(F)(F)F)(F)F
InChI=1S/C6F12O/c7-2(4(10,11)12,5(13,14)15)1(19)3(8,9)6(16,17)18
RMLFHPWPTXWZNJ-UHFFFAOYSA-N
CSID:2062563, http://www.chemspider.com/Chemical-Structure.2062563.html (accessed 21:59, Apr 23, 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) = 2.79 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 80.02 (Adapted Stein & Brown method) Melting Pt (deg C): -56.80 (Mean or Weighted MP) VP(mm Hg,25 deg C): 96.5 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 40.95 log Kow used: 2.79 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1.3358 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 4.46E-001 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 9.800E-001 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.79 (KowWin est) Log Kaw used: 1.261 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 1.529 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : -1.3252 Biowin2 (Non-Linear Model) : 0.0000 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 0.5151 (recalcitrant) Biowin4 (Primary Survey Model) : 2.2395 (months ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2334 Biowin6 (MITI Non-Linear Model): 0.0000 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.2243 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): 1.25E+004 Pa (93.5 mm Hg) Log Koa (Koawin est ): 1.529 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 2.41E-010 Octanol/air (Koa) model: 8.3E-012 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 8.69E-009 Mackay model : 1.93E-008 Octanol/air (Koa) model: 6.64E-010 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): 1.4E-008 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 3792 Log Koc: 3.579 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 = 1.448 (BCF = 28.07) log Kow used: 2.79 (estimated) Volatilization from Water: Henry LC: 0.446 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.816 hours Half-Life from Model Lake : 168.9 hours (7.037 days) Removal In Wastewater Treatment (recommended maximum 95%): Total removal: 99.43 percent Total biodegradation: 0.02 percent Total sludge adsorption: 1.68 percent Total to Air: 97.73 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 48.6 1e+005 1000 Water 49.6 4.32e+003 1000 Soil 1 8.64e+003 1000 Sediment 0.836 3.89e+004 0 Persistence Time: 184 hr
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