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Bis(pentafluorophenyl)phosphine
c1(c(c(c(c(c1F)F)Pc2c(c(c(c(c2F)F)F)F)F)F)F)F
InChI=1S/C12HF10P/c13-1-3(15)7(19)11(8(20)4(1)16)23-12-9(21)5(17)2(14)6(18)10(12)22/h23H
USKNGEUCLVAUBJ-UHFFFAOYSA-N
CSID:532516, http://www.chemspider.com/Chemical-Structure.532516.html (accessed 03:45, Jul 6, 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) = 5.26 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 240.95 (Adapted Stein & Brown method) Melting Pt (deg C): 57.97 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.0209 (Modified Grain method) Subcooled liquid VP: 0.0423 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): 0.159 log Kow used: 5.26 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 5.7802 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.09E-005 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 6.332E-002 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.26 (KowWin est) Log Kaw used: -3.351 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 8.611 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : -7.5266 Biowin2 (Non-Linear Model) : 0.0000 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): -1.6793 (recalcitrant) Biowin4 (Primary Survey Model) : 3.4541 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.2032 Biowin6 (MITI Non-Linear Model): 0.0000 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.8361 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): 5.64 Pa (0.0423 mm Hg) Log Koa (Koawin est ): 8.611 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 5.32E-007 Octanol/air (Koa) model: 0.0001 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1.92E-005 Mackay model : 4.26E-005 Octanol/air (Koa) model: 0.00795 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 0.8732 E-12 cm3/molecule-sec Half-Life = 12.249 Days (12-hr day; 1.5E6 OH/cm3) Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 3.09E-005 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.796E+006 Log Koc: 6.254 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 = 3.351 (BCF = 2244) log Kow used: 5.26 (estimated) Volatilization from Water: Henry LC: 1.09E-005 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 104.7 hours (4.364 days) Half-Life from Model Lake : 1303 hours (54.29 days) Removal In Wastewater Treatment: Total removal: 84.42 percent Total biodegradation: 0.72 percent Total sludge adsorption: 83.63 percent Total to Air: 0.06 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.427 294 1000 Water 3.48 4.32e+003 1000 Soil 66.5 8.64e+003 1000 Sediment 29.6 3.89e+004 0 Persistence Time: 6.35e+003 hr
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