Trichloromethyl CCl3 structure – Flashcards
Flashcard maker : Ewan Tanner
Molecular Formula | CCl3 |
Average mass | 118.370 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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Predicted data is generated using the US Environmental Protection Agency’s EPISuite™
Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = 1.52 Log Kow (Exper. database match) = 1.97 Exper. Ref: Hansch,C et al. (1995) Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 91.18 (Adapted Stein & Brown method) Melting Pt (deg C): -78.90 (Mean or Weighted MP) VP(mm Hg,25 deg C): 189 (Mean VP of Antoine & Grain methods) MP (exp database): -63.6 deg C BP (exp database): 61.1 deg C VP (exp database): 1.97E+02 mm Hg at 25 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 2096 log Kow used: 1.97 (expkow database) no-melting pt equation used Water Sol (Exper. database match) = 7950 mg/L (25 deg C) Exper. Ref: MACKAY,D ET AL. (1980) Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 8630.2 mg/L Wat Sol (Exper. database match) = 7950.00 Exper. Ref: MACKAY,D ET AL. (1980) ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.22E-003 atm-m3/mole Group Method: 4.06E-003 atm-m3/mole Exper Database: 3.67E-03 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 1.416E-002 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.97 (exp database) Log Kaw used: -0.824 (exp database) Log Koa (KOAWIN v1.10 estimate): 2.794 Log Koa (experimental database): 2.800 Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.3565 Biowin2 (Non-Linear Model) : 0.0141 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.4158 (weeks-months) Biowin4 (Primary Survey Model) : 3.3737 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3096 Biowin6 (MITI Non-Linear Model): 0.0503 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.6263 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): 2.63E+004 Pa (197 mm Hg) Log Koa (Exp database): 2.800 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.14E-010 Octanol/air (Koa) model: 1.55E-010 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 4.13E-009 Mackay model : 9.14E-009 Octanol/air (Koa) model: 1.24E-008 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 0.1065 E-12 cm3/molecule-sec Half-Life = 100.477 Days (12-hr day; 1.5E6 OH/cm3) Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 6.63E-009 (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 : 6.445E-005 L/mol-sec Kb Half-Life at pH 8: 340.755 years Kb Half-Life at pH 7: 3407.546 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 0.817 (BCF = 6.56) log Kow used: 1.97 (expkow database) Volatilization from Water: Henry LC: 0.00367 atm-m3/mole (Henry experimental database) Half-Life from Model River: 1.289 hours Half-Life from Model Lake : 105.7 hours (4.403 days) Removal In Wastewater Treatment: Total removal: 59.81 percent Total biodegradation: 0.05 percent Total sludge adsorption: 1.14 percent Total to Air: 58.61 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 42.8 2.49e+003 1000 Water 43.2 900 1000 Soil 13.8 1.8e+003 1000 Sediment 0.161 8.1e+003 0 Persistence Time: 192 hr
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