Try beta.chemspider
- Double-bond stereo
(1Z)-1,3,3,3-Tetrafluoro-1-propene
C(=C\F)\C(F)(F)F
InChI=1S/C3H2F4/c4-2-1-3(5,6)7/h1-2H/b2-1-
CDOOAUSHHFGWSA-UPHRSURJSA-N
CSID:9291157, http://www.chemspider.com/Chemical-Structure.9291157.html (accessed 11:23, May 13, 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) = 2.01 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): -16.13 (Adapted Stein & Brown method) Melting Pt (deg C): -136.48 (Mean or Weighted MP) VP(mm Hg,25 deg C): 2.97E+003 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 2010 log Kow used: 2.01 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 989.77 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.46E+000 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 5.674E-002 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.01 (KowWin est) Log Kaw used: 1.776 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 0.234 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.1728 Biowin2 (Non-Linear Model) : 0.0136 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.4342 (weeks-months) Biowin4 (Primary Survey Model) : 3.4088 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4548 Biowin6 (MITI Non-Linear Model): 0.0000 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.6890 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): 3.8E+005 Pa (2.85E+003 mm Hg) Log Koa (Koawin est ): 0.234 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 7.89E-012 Octanol/air (Koa) model: 4.21E-013 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 2.85E-010 Mackay model : 6.32E-010 Octanol/air (Koa) model: 3.37E-011 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 9.0014 E-12 cm3/molecule-sec [Cis-isomer] OVERALL OH Rate Constant = 10.2144 E-12 cm3/molecule-sec [Trans-isomer] Half-Life = 1.188 Days (12-hr day; 1.5E6 OH/cm3) [Cis-isomer] Half-Life = 1.047 Days (12-hr day; 1.5E6 OH/cm3) [Trans-isomer] Ozone Reaction: OVERALL Ozone Rate Constant = 0.035000 E-17 cm3/molecule-sec [Cis-] OVERALL Ozone Rate Constant = 0.070000 E-17 cm3/molecule-sec [Trans-] Half-Life = 32.743 Days (at 7E11 mol/cm3) [Cis-isomer] Half-Life = 16.371 Days (at 7E11 mol/cm3) [Trans-isomer] Fraction sorbed to airborne particulates (phi): 4.58E-010 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 178.2 Log Koc: 2.251 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 = 0.851 (BCF = 7.088) log Kow used: 2.01 (estimated) Volatilization from Water: Henry LC: 1.46 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.09 hours Half-Life from Model Lake : 101.4 hours (4.226 days) Removal In Wastewater Treatment (recommended maximum 95%): Total removal: 99.82 percent Total biodegradation: 0.02 percent Total sludge adsorption: 0.49 percent Total to Air: 99.32 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 23.6 27.5 1000 Water 75.4 900 1000 Soil 0.717 1.8e+003 1000 Sediment 0.294 8.1e+003 0 Persistence Time: 104 hr
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