1,1,3,3,3-Pentafluoro-2-(heptafluoropropoxy)-1-propene
FC(F)(C(F)(F)O\C(=C(/F)F)C(F)(F)F)C(F)(F)F
InChI=1S/C6F12O/c7-2(8)1(3(9,10)11)19-6(17,18)4(12,13)5(14,15)16
BVJBABPZVLPOLU-UHFFFAOYSA-N
CSID:9176780, http://www.chemspider.com/Chemical-Structure.9176780.html (accessed 18:27, Apr 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) = 4.26 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 47.89 (Adapted Stein & Brown method) Melting Pt (deg C): -97.74 (Mean or Weighted MP) VP(mm Hg,25 deg C): 331 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 2.289 log Kow used: 4.26 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 2.4888 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Vinyl/Allyl Ethers Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 5.64E+001 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 6.013E+001 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.26 (KowWin est) Log Kaw used: 3.363 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 0.897 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : -1.1590 Biowin2 (Non-Linear Model) : 0.0000 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.0419 (recalcitrant) Biowin4 (Primary Survey Model) : 2.5263 (weeks-months) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.1171 Biowin6 (MITI Non-Linear Model): 0.0000 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.0896 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): 4.39E+004 Pa (329 mm Hg) Log Koa (Koawin est ): 0.897 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 6.84E-011 Octanol/air (Koa) model: 1.94E-012 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 2.47E-009 Mackay model : 5.47E-009 Octanol/air (Koa) model: 1.55E-010 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 4.7928 E-12 cm3/molecule-sec Half-Life = 2.232 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 26.780 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 0.140000 E-17 cm3/molecule-sec Half-Life = 8.186 Days (at 7E11 mol/cm3) Fraction sorbed to airborne particulates (phi): 3.97E-009 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 4299 Log Koc: 3.633 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 = 2.578 (BCF = 378.2) log Kow used: 4.26 (estimated) Volatilization from Water: Henry LC: 56.4 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.814 hours Half-Life from Model Lake : 168.9 hours (7.036 days) Removal In Wastewater Treatment (recommended maximum 95%): Total removal: 100.00 percent Total biodegradation: 0.08 percent Total sludge adsorption: 25.20 percent Total to Air: 74.71 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 16.7 42.1 1000 Water 45 4.32e+003 1000 Soil 0.46 8.64e+003 1000 Sediment 37.9 3.89e+004 0 Persistence Time: 202 hr
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