Try beta.chemspider
Tetrafluoroethene
C(=C(F)F)(F)F
InChI=1S/C2F4/c3-1(4)2(5)6
BFKJFAAPBSQJPD-UHFFFAOYSA-N
CSID:8000, http://www.chemspider.com/Chemical-Structure.8000.html (accessed 23:21, Apr 25, 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) = 1.21 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): -31.60 (Adapted Stein & Brown method) Melting Pt (deg C): -161.81 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.42E+004 (Mean VP of Antoine & Grain methods) MP (exp database): -142.5 deg C BP (exp database): -75.9 deg C VP (exp database): 2.45E+04 mm Hg at 25 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 1.074e+004 log Kow used: 1.21 (estimated) no-melting pt equation used Water Sol (Exper. database match) = 159 mg/L (25 deg C) Exper. Ref: HORVATH,AL (1982) Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 19790 mg/L Wat Sol (Exper. database match) = 159.00 Exper. Ref: HORVATH,AL (1982) ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 8.28E-001 atm-m3/mole Group Method: Incomplete Exper Database: 6.29E-01 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 9.313E-003 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.21 (KowWin est) Log Kaw used: 1.410 (exp database) Log Koa (KOAWIN v1.10 estimate): -0.200 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6999 Biowin2 (Non-Linear Model) : 0.8304 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.9781 (weeks ) Biowin4 (Primary Survey Model) : 3.7034 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4841 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): 3.27E+006 Pa (2.45E+004 mm Hg) Log Koa (Koawin est ): -0.200 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 9.18E-013 Octanol/air (Koa) model: 1.55E-013 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 3.32E-011 Mackay model : 7.35E-011 Octanol/air (Koa) model: 1.24E-011 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 0.2139 E-12 cm3/molecule-sec Half-Life = 49.998 Days (12-hr day; 1.5E6 OH/cm3) Ozone Reaction: OVERALL Ozone Rate Constant = 0.004480 E-17 cm3/molecule-sec Half-Life = 255.803 Days (at 7E11 mol/cm3) Fraction sorbed to airborne particulates (phi): 5.33E-011 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 106.8 Log Koc: 2.029 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 = 0.235 (BCF = 1.718) log Kow used: 1.21 (estimated) Volatilization from Water: Henry LC: 0.629 atm-m3/mole (Henry experimental database) Half-Life from Model River: 1.021 hours Half-Life from Model Lake : 95 hours (3.958 days) Removal In Wastewater Treatment (recommended maximum 95%): Total removal: 99.59 percent Total biodegradation: 0.02 percent Total sludge adsorption: 0.29 percent Total to Air: 99.28 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 54.9 856 1000 Water 44.5 360 1000 Soil 0.529 720 1000 Sediment 0.0939 3.24e+003 0 Persistence Time: 138 hr
Click to predict properties on the Chemicalize site
Advertisement
Spotlight