Chloro(difluoro)methyl CClF2 structure – Flashcards
Flashcard maker : Tara Rose
| Molecular Formula | CClF2 |
| Average mass | 85.461 Da |
| Density | |
| Boiling Point | |
| Flash Point | |
| Molar Refractivity | |
| Polarizability | |
| Surface Tension | |
| Molar Volume |
- 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 7.4): | |
| ACD/BCF (pH 7.4): | |
| ACD/KOC (pH 7.4): | |
| Polar Surface Area: | |
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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) = 0.89 Log Kow (Exper. database match) = 1.08 Exper. Ref: Hansch,C et al. (1995) Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): -15.42 (Adapted Stein & Brown method) Melting Pt (deg C): -139.35 (Mean or Weighted MP) VP(mm Hg,25 deg C): 6.57E+003 (Mean VP of Antoine & Grain methods) MP (exp database): -157.4 deg C BP (exp database): -40.7 deg C VP (exp database): 7.25E+03 mm Hg at 25 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 2748 log Kow used: 1.08 (expkow database) no-melting pt equation used Water Sol (Exper. database match) = 2770 mg/L (25 deg C) Exper. Ref: HORVATH,AL (1982) Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 11333 mg/L Wat Sol (Exper. database match) = 2770.00 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 : 1.03E-001 atm-m3/mole Group Method: 2.13E-002 atm-m3/mole Exper Database: 4.06E-02 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 3.147E-002 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.08 (exp database) Log Kaw used: 0.220 (exp database) Log Koa (KOAWIN v1.10 estimate): 0.860 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.5950 Biowin2 (Non-Linear Model) : 0.4820 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.8349 (weeks ) Biowin4 (Primary Survey Model) : 3.6224 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4401 Biowin6 (MITI Non-Linear Model): 0.0002 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.6556 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): 9.67E+005 Pa (7.25E+003 mm Hg) Log Koa (Koawin est ): 0.860 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 3.1E-012 Octanol/air (Koa) model: 1.78E-012 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1.12E-010 Mackay model : 2.48E-010 Octanol/air (Koa) model: 1.42E-010 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 0.0065 E-12 cm3/molecule-sec Half-Life = 1642.025 Days (12-hr day; 1.5E6 OH/cm3) Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 1.8E-010 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 35.04 Log Koc: 1.545 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 9.019E-001 L/mol-sec Kb Half-Life at pH 8: 8.895 days Kb Half-Life at pH 7: 88.947 days Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 0.132 (BCF = 1.354) log Kow used: 1.08 (expkow database) Volatilization from Water: Henry LC: 0.0406 atm-m3/mole (Henry experimental database) Half-Life from Model River: 0.9623 hours (57.74 min) Half-Life from Model Lake : 88.47 hours (3.686 days) Removal In Wastewater Treatment: Total removal: 94.03 percent Total biodegradation: 0.02 percent Total sludge adsorption: 0.37 percent Total to Air: 93.65 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 56.3 5.48e+004 1000 Water 42.6 360 1000 Soil 1.04 720 1000 Sediment 0.0867 3.24e+003 0 Persistence Time: 145 hr Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = 0.89 Log Kow (Exper. database match) = 1.08 Exper. Ref: Hansch,C et al. (1995) Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): -15.42 (Adapted Stein & Brown method) Melting Pt (deg C): -139.35 (Mean or Weighted MP) VP(mm Hg,25 deg C): 6.57E+003 (Mean VP of Antoine & Grain methods) MP (exp database): -157.4 deg C BP (exp database): -40.7 deg C VP (exp database): 7.25E+03 mm Hg at 25 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 2748 log Kow used: 1.08 (expkow database) no-melting pt equation used Water Sol (Exper. database match) = 2770 mg/L (25 deg C) Exper. Ref: HORVATH,AL (1982) Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 11333 mg/L Wat Sol (Exper. database match) = 2770.00 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 : 1.03E-001 atm-m3/mole Group Method: 2.13E-002 atm-m3/mole Exper Database: 4.06E-02 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 3.147E-002 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.08 (exp database) Log Kaw used: 0.220 (exp database) Log Koa (KOAWIN v1.10 estimate): 0.860 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.5950 Biowin2 (Non-Linear Model) : 0.4820 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.8349 (weeks ) Biowin4 (Primary Survey Model) : 3.6224 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4401 Biowin6 (MITI Non-Linear Model): 0.0002 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.6556 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): 9.67E+005 Pa (7.25E+003 mm Hg) Log Koa (Koawin est ): 0.860 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 3.1E-012 Octanol/air (Koa) model: 1.78E-012 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1.12E-010 Mackay model : 2.48E-010 Octanol/air (Koa) model: 1.42E-010 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 0.0065 E-12 cm3/molecule-sec Half-Life = 1642.025 Days (12-hr day; 1.5E6 OH/cm3) Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 1.8E-010 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 35.04 Log Koc: 1.545 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 9.019E-001 L/mol-sec Kb Half-Life at pH 8: 8.895 days Kb Half-Life at pH 7: 88.947 days Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 0.132 (BCF = 1.354) log Kow used: 1.08 (expkow database) Volatilization from Water: Henry LC: 0.0406 atm-m3/mole (Henry experimental database) Half-Life from Model River: 0.9623 hours (57.74 min) Half-Life from Model Lake : 88.47 hours (3.686 days) Removal In Wastewater Treatment: Total removal: 94.03 percent Total biodegradation: 0.02 percent Total sludge adsorption: 0.37 percent Total to Air: 93.65 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 56.3 5.48e+004 1000 Water 42.6 360 1000 Soil 1.04 720 1000 Sediment 0.0867 3.24e+003 0 Persistence Time: 145 hr
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