Tetrafluoromethane
C(F)(F)(F)F
InChI=1S/CF4/c2-1(3,4)5
TXEYQDLBPFQVAA-UHFFFAOYSA-N
CSID:6153, http://www.chemspider.com/Chemical-Structure.6153.html (accessed 11:38, 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) = 1.19 Log Kow (Exper. database match) = 1.18 Exper. Ref: Hansch,C et al. (1995) Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): -83.29 (Adapted Stein & Brown method) Melting Pt (deg C): -164.82 (Mean or Weighted MP) VP(mm Hg,25 deg C): 6.97E+004 (Mean VP of Antoine & Grain methods) MP (exp database): -183.5 deg C BP (exp database): -128 deg C VP (exp database): 1.75E+05 mm Hg at 25 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 2239 log Kow used: 1.18 (expkow database) no-melting pt equation used Water Sol (Exper. database match) = 18.8 mg/L (25 deg C) Exper. Ref: HORVATH,AL (1982) Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 3236.6 mg/L Wat Sol (Exper. database match) = 18.80 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 : 4.59E+000 atm-m3/mole Group Method: 1.17E-004 atm-m3/mole Exper Database: 5.15E+00 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 3.930E-002 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.18 (exp database) Log Kaw used: 2.323 (exp database) Log Koa (KOAWIN v1.10 estimate): -1.143 Log Koa (experimental database): -0.950 Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.5217 Biowin2 (Non-Linear Model) : 0.5090 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.7926 (weeks ) Biowin4 (Primary Survey Model) : 3.5673 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.5875 Biowin6 (MITI Non-Linear Model): 0.0000 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.5019 Ready Biodegradability Prediction: YES Hydrocarbon Biodegradation (BioHCwin v1.01): Structure incompatible with current estimation method! Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 2.33E+007 Pa (1.75E+005 mm Hg) Log Koa (Exp database): -0.950 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.29E-013 Octanol/air (Koa) model: 2.75E-014 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 4.64E-012 Mackay model : 1.03E-011 Octanol/air (Koa) model: 2.2E-012 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 0.0000 E-12 cm3/molecule-sec Half-Life = ------- Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 7.46E-012 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 48.64 Log Koc: 1.687 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 = 0.209 (BCF = 1.617) log Kow used: 1.18 (expkow database) Volatilization from Water: Henry LC: 5.15 atm-m3/mole (Henry experimental database) Half-Life from Model River: 0.9574 hours (57.44 min) Half-Life from Model Lake : 89.1 hours (3.713 days) Removal In Wastewater Treatment (recommended maximum 95%): Total removal: 99.95 percent Total biodegradation: 0.02 percent Total sludge adsorption: 0.28 percent Total to Air: 99.65 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 56.8 1e+005 1000 Water 42.6 360 1000 Soil 0.47 720 1000 Sediment 0.0892 3.24e+003 0 Persistence Time: 144 hr Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = 1.19 Log Kow (Exper. database match) = 1.18 Exper. Ref: Hansch,C et al. (1995) Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): -83.29 (Adapted Stein & Brown method) Melting Pt (deg C): -164.82 (Mean or Weighted MP) VP(mm Hg,25 deg C): 6.97E+004 (Mean VP of Antoine & Grain methods) MP (exp database): -183.5 deg C BP (exp database): -128 deg C VP (exp database): 1.75E+05 mm Hg at 25 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 2239 log Kow used: 1.18 (expkow database) no-melting pt equation used Water Sol (Exper. database match) = 18.8 mg/L (25 deg C) Exper. Ref: HORVATH,AL (1982) Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 3236.6 mg/L Wat Sol (Exper. database match) = 18.80 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 : 4.59E+000 atm-m3/mole Group Method: 1.17E-004 atm-m3/mole Exper Database: 5.15E+00 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 3.930E-002 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.18 (exp database) Log Kaw used: 2.323 (exp database) Log Koa (KOAWIN v1.10 estimate): -1.143 Log Koa (experimental database): -0.950 Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.5217 Biowin2 (Non-Linear Model) : 0.5090 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.7926 (weeks ) Biowin4 (Primary Survey Model) : 3.5673 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.5875 Biowin6 (MITI Non-Linear Model): 0.0000 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.5019 Ready Biodegradability Prediction: YES Hydrocarbon Biodegradation (BioHCwin v1.01): Structure incompatible with current estimation method! Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 2.33E+007 Pa (1.75E+005 mm Hg) Log Koa (Exp database): -0.950 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.29E-013 Octanol/air (Koa) model: 2.75E-014 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 4.64E-012 Mackay model : 1.03E-011 Octanol/air (Koa) model: 2.2E-012 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 0.0000 E-12 cm3/molecule-sec Half-Life = ------- Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 7.46E-012 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 48.64 Log Koc: 1.687 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 = 0.209 (BCF = 1.617) log Kow used: 1.18 (expkow database) Volatilization from Water: Henry LC: 5.15 atm-m3/mole (Henry experimental database) Half-Life from Model River: 0.9574 hours (57.44 min) Half-Life from Model Lake : 89.1 hours (3.713 days) Removal In Wastewater Treatment (recommended maximum 95%): Total removal: 99.95 percent Total biodegradation: 0.02 percent Total sludge adsorption: 0.28 percent Total to Air: 99.65 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 56.8 1e+005 1000 Water 42.6 360 1000 Soil 0.47 720 1000 Sediment 0.0892 3.24e+003 0 Persistence Time: 144 hr
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