1,1,3,3,3-Pentafluoro-2-(trifluoromethyl)-1-propene
C(=C(F)F)(C(F)(F)F)C(F)(F)F
InChI=1S/C4F8/c5-2(6)1(3(7,8)9)4(10,11)12
DAFIBNSJXIGBQB-UHFFFAOYSA-N
CSID:55060, http://www.chemspider.com/Chemical-Structure.55060.html (accessed 17:41, Mar 28, 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) = 3.03 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): -11.30 (Adapted Stein & Brown method) Melting Pt (deg C): -141.01 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.75E+003 (Mean VP of Antoine & Grain methods) BP (exp database): 0.5 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 112.8 log Kow used: 3.03 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 45.501 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.44E+001 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.773E+000 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.03 (KowWin est) Log Kaw used: 3.148 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): -0.118 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : -0.3885 Biowin2 (Non-Linear Model) : 0.0000 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.7312 (recalcitrant) Biowin4 (Primary Survey Model) : 3.0103 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2561 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): 2.31E+005 Pa (1.73E+003 mm Hg) Log Koa (Koawin est ): -0.118 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.3E-011 Octanol/air (Koa) model: 1.87E-013 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 4.7E-010 Mackay model : 1.04E-009 Octanol/air (Koa) model: 1.5E-011 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 2.8019 E-12 cm3/molecule-sec Half-Life = 3.817 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 45.808 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 0.028000 E-17 cm3/molecule-sec Half-Life = 40.929 Days (at 7E11 mol/cm3) Fraction sorbed to airborne particulates (phi): 7.55E-010 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 2074 Log Koc: 3.317 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 = 1.634 (BCF = 43.06) log Kow used: 3.03 (estimated) Volatilization from Water: Henry LC: 34.4 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.443 hours Half-Life from Model Lake : 134.3 hours (5.597 days) Removal In Wastewater Treatment (recommended maximum 95%): Total removal: 99.99 percent Total biodegradation: 0.02 percent Total sludge adsorption: 2.67 percent Total to Air: 97.30 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 34.1 83.8 1000 Water 63.5 4.32e+003 1000 Soil 0.486 8.64e+003 1000 Sediment 1.93 3.89e+004 0 Persistence Time: 143 hr
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