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1,1,1,3,3-pentafluoropropane
C([C](F)F)C(F)(F)F
InChI=1S/C3H2F5/c4-2(5)1-3(6,7)8/h1H2
IBELRASIIBFIQF-UHFFFAOYSA-N
Date of deprecation: 13:33, Feb 22, 2024 Reason for deprecation: Deprecate record: Testing Bad record 2
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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) = 2.04 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): -39.23 (Adapted Stein & Brown method) Melting Pt (deg C): -147.90 (Mean or Weighted MP) VP(mm Hg,25 deg C): 443 (Mean VP of Antoine & Grain methods) MP (exp database): -102 deg C BP (exp database): 40 deg C VP (exp database): 1.13E+03 mm Hg at 25 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 291.5 log Kow used: 2.04 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 294.65 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 4.05E+000 atm-m3/mole Group Method: 6.89E-002 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 2.681E-001 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.04 (KowWin est) Log Kaw used: 2.219 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): -0.179 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.1633 Biowin2 (Non-Linear Model) : 0.0103 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.3900 (weeks-months) Biowin4 (Primary Survey Model) : 3.3799 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3990 Biowin6 (MITI Non-Linear Model): 0.0000 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.6962 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): 1.51E+005 Pa (1.13E+003 mm Hg) Log Koa (Koawin est ): -0.179 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.99E-011 Octanol/air (Koa) model: 1.63E-013 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 7.19E-010 Mackay model : 1.59E-009 Octanol/air (Koa) model: 1.3E-011 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 0.0297 E-12 cm3/molecule-sec Half-Life = 360.070 Days (12-hr day; 1.5E6 OH/cm3) Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 1.16E-009 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 275.5 Log Koc: 2.440 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 3.641E-010 L/mol-sec Kb Half-Life at pH 8: 6.032E+007 years Kb Half-Life at pH 7: 6.032E+008 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 0.869 (BCF = 7.404) log Kow used: 2.04 (estimated) Volatilization from Water: Henry LC: 0.0689 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 1.191 hours Half-Life from Model Lake : 110.1 hours (4.587 days) Removal In Wastewater Treatment (recommended maximum 95%): Total removal: 96.39 percent Total biodegradation: 0.02 percent Total sludge adsorption: 0.57 percent Total to Air: 95.81 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 51.5 3.53e+004 1000 Water 47 900 1000 Soil 1.38 1.8e+003 1000 Sediment 0.19 8.1e+003 0 Persistence Time: 167 hr
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