Fluoromethyl CH2F structure – Flashcards
Flashcard maker : Lewis Edwards
Molecular Formula | CH2F |
Average mass | 33.025 Da |
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- Predicted – ACD/Labs
- Predicted – EPISuite
- Predicted – ChemAxon
Predicted data is generated using the ACD/Labs Percepta Platform – PhysChem Module
No predicted properties have been calculated for this compound.
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ACD/LogD (pH 5.5): | |
ACD/BCF (pH 5.5): | |
ACD/KOC (pH 5.5): | |
ACD/LogD (pH 7.4): | |
ACD/BCF (pH 7.4): | |
ACD/KOC (pH 7.4): | |
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Predicted data is generated using the US Environmental Protection Agency’s EPISuite™
Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = 0.77 Log Kow (Exper. database match) = 0.51 Exper. Ref: Hansch,C et al. (1995) Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): -62.24 (Adapted Stein & Brown method) Melting Pt (deg C): -160.77 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.52E+004 (Mean VP of Antoine & Grain methods) MP (exp database): -141.8 deg C BP (exp database): -78.4 deg C VP (exp database): 2.85E+03 mm Hg at 25 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 4.412e+004 log Kow used: 0.51 (expkow database) no-melting pt equation used Water Sol (Exper. database match) = 2.27e+004 mg/L (20 deg C) Exper. Ref: HORVATH,AL (1982) Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 20038 mg/L Wat Sol (Exper. database match) = 22700.00 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 : 1.64E-002 atm-m3/mole Group Method: 1.69E-002 atm-m3/mole Exper Database: 1.70E-02 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 7.713E-004 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 0.51 (exp database) Log Kaw used: -0.158 (exp database) Log Koa (KOAWIN v1.10 estimate): 0.668 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7313 Biowin2 (Non-Linear Model) : 0.9259 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.1240 (weeks ) Biowin4 (Primary Survey Model) : 3.7986 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.6287 Biowin6 (MITI Non-Linear Model): 0.0813 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.7565 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): 3.8E+005 Pa (2.85E+003 mm Hg) Log Koa (Koawin est ): 0.668 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 7.89E-012 Octanol/air (Koa) model: 1.14E-012 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 2.85E-010 Mackay model : 6.32E-010 Octanol/air (Koa) model: 9.14E-011 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 0.0128 E-12 cm3/molecule-sec Half-Life = 836.670 Days (12-hr day; 1.5E6 OH/cm3) Ozone Reaction: No Ozone Reaction Estimation 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 : 14.3 Log Koc: 1.155 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 4.645E-007 L/mol-sec Kb Half-Life at pH 8: 4.728E+004 years Kb Half-Life at pH 7: 4.728E+005 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 0.500 (BCF = 3.162) log Kow used: 0.51 (expkow database) Volatilization from Water: Henry LC: 0.017 atm-m3/mole (Henry experimental database) Half-Life from Model River: 0.6154 hours (36.92 min) Half-Life from Model Lake : 55.63 hours (2.318 days) Removal In Wastewater Treatment: Total removal: 86.91 percent Total biodegradation: 0.03 percent Total sludge adsorption: 0.46 percent Total to Air: 86.43 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 55.7 1.53e+004 1000 Water 42.7 360 1000 Soil 1.54 720 1000 Sediment 0.0804 3.24e+003 0 Persistence Time: 146 hr
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