2-Chloro-2-methylpropane
CC(C)(C)Cl
InChI=1S/C4H9Cl/c1-4(2,3)5/h1-3H3
NBRKLOOSMBRFMH-UHFFFAOYSA-N
CSID:10054, http://www.chemspider.com/Chemical-Structure.10054.html (accessed 02:10, Apr 20, 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) = 2.45 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 35.26 (Adapted Stein & Brown method) Melting Pt (deg C): -99.53 (Mean or Weighted MP) VP(mm Hg,25 deg C): 293 (Mean VP of Antoine & Grain methods) MP (exp database): -26 deg C BP (exp database): 50 deg C VP (exp database): 3.07E+02 mm Hg at 25 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 994 log Kow used: 2.45 (estimated) no-melting pt equation used Water Sol (Exper. database match) = 2880 mg/L (15 deg C) Exper. Ref: YALKOWSKY,SH & DANNENFELSER,RM (1992) Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 2439.6 mg/L Wat Sol (Exper. database match) = 2880.00 Exper. Ref: YALKOWSKY,SH & DANNENFELSER,RM (1992) ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.92E-002 atm-m3/mole Group Method: Incomplete Exper Database: 1.28E-02 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 3.590E-002 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.45 (KowWin est) Log Kaw used: -0.281 (exp database) Log Koa (KOAWIN v1.10 estimate): 2.731 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.4082 Biowin2 (Non-Linear Model) : 0.1322 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.6093 (weeks-months) Biowin4 (Primary Survey Model) : 3.4601 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.5067 Biowin6 (MITI Non-Linear Model): 0.4186 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.2485 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): 4.09E+004 Pa (307 mm Hg) Log Koa (Koawin est ): 2.731 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 7.33E-011 Octanol/air (Koa) model: 1.32E-010 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 2.65E-009 Mackay model : 5.86E-009 Octanol/air (Koa) model: 1.06E-008 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 0.4080 E-12 cm3/molecule-sec Half-Life = 26.216 Days (12-hr day; 1.5E6 OH/cm3) Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 4.26E-009 (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]: Total Kb for pH > 8 at 25 deg C : 3.089E-014 L/mol-sec Kb Half-Life at pH 8: 7.110E+011 years Kb Half-Life at pH 7: 7.110E+012 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 1.185 (BCF = 15.33) log Kow used: 2.45 (estimated) Volatilization from Water: Henry LC: 0.0128 atm-m3/mole (Henry experimental database) Half-Life from Model River: 1.026 hours Half-Life from Model Lake : 91.87 hours (3.828 days) Removal In Wastewater Treatment: Total removal: 83.45 percent Total biodegradation: 0.03 percent Total sludge adsorption: 1.24 percent Total to Air: 82.18 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 43.4 626 1000 Water 45 900 1000 Soil 11.2 1.8e+003 1000 Sediment 0.337 8.1e+003 0 Persistence Time: 177 hr Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = 2.45 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 35.26 (Adapted Stein & Brown method) Melting Pt (deg C): -99.53 (Mean or Weighted MP) VP(mm Hg,25 deg C): 293 (Mean VP of Antoine & Grain methods) MP (exp database): -26 deg C BP (exp database): 50 deg C VP (exp database): 3.07E+02 mm Hg at 25 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 994 log Kow used: 2.45 (estimated) no-melting pt equation used Water Sol (Exper. database match) = 2880 mg/L (15 deg C) Exper. Ref: YALKOWSKY,SH & DANNENFELSER,RM (1992) Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 2439.6 mg/L Wat Sol (Exper. database match) = 2880.00 Exper. Ref: YALKOWSKY,SH & DANNENFELSER,RM (1992) ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.92E-002 atm-m3/mole Group Method: Incomplete Exper Database: 1.28E-02 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 3.590E-002 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.45 (KowWin est) Log Kaw used: -0.281 (exp database) Log Koa (KOAWIN v1.10 estimate): 2.731 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.4082 Biowin2 (Non-Linear Model) : 0.1322 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.6093 (weeks-months) Biowin4 (Primary Survey Model) : 3.4601 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.5067 Biowin6 (MITI Non-Linear Model): 0.4186 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.2485 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): 4.09E+004 Pa (307 mm Hg) Log Koa (Koawin est ): 2.731 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 7.33E-011 Octanol/air (Koa) model: 1.32E-010 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 2.65E-009 Mackay model : 5.86E-009 Octanol/air (Koa) model: 1.06E-008 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 0.4080 E-12 cm3/molecule-sec Half-Life = 26.216 Days (12-hr day; 1.5E6 OH/cm3) Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 4.26E-009 (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]: Total Kb for pH > 8 at 25 deg C : 3.089E-014 L/mol-sec Kb Half-Life at pH 8: 7.110E+011 years Kb Half-Life at pH 7: 7.110E+012 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 1.185 (BCF = 15.33) log Kow used: 2.45 (estimated) Volatilization from Water: Henry LC: 0.0128 atm-m3/mole (Henry experimental database) Half-Life from Model River: 1.026 hours Half-Life from Model Lake : 91.87 hours (3.828 days) Removal In Wastewater Treatment: Total removal: 83.45 percent Total biodegradation: 0.03 percent Total sludge adsorption: 1.24 percent Total to Air: 82.18 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 43.4 626 1000 Water 45 900 1000 Soil 11.2 1.8e+003 1000 Sediment 0.337 8.1e+003 0 Persistence Time: 177 hr
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