2-Chloro-2-methylbutane
CCC(C)(C)Cl
InChI=1S/C5H11Cl/c1-4-5(2,3)6/h4H2,1-3H3
CRNIHJHMEQZAAS-UHFFFAOYSA-N
CSID:55090, http://www.chemspider.com/Chemical-Structure.55090.html (accessed 15:48, Mar 28, 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) = 2.94 Log Kow (Exper. database match) = 2.52 Exper. Ref: Hansch,C et al. (1995) Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 61.16 (Adapted Stein & Brown method) Melting Pt (deg C): -86.33 (Mean or Weighted MP) VP(mm Hg,25 deg C): 69.3 (Mean VP of Antoine & Grain methods) MP (exp database): -73.5 deg C BP (exp database): 85.5 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 786.4 log Kow used: 2.52 (expkow database) no-melting pt equation used Water Sol (Exper. database match) = 329 mg/L (25 deg C) Exper. Ref: KUHNE,R ET AL. (1995) Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 815.79 mg/L Wat Sol (Exper. database match) = 329.00 Exper. Ref: KUHNE,R ET AL. (1995) ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.55E-002 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.236E-002 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.52 (exp database) Log Kaw used: 0.018 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 2.502 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.4015 Biowin2 (Non-Linear Model) : 0.1110 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.5783 (weeks-months) Biowin4 (Primary Survey Model) : 3.4399 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.5144 Biowin6 (MITI Non-Linear Model): 0.4246 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.2745 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): 8.91E+003 Pa (66.8 mm Hg) Log Koa (Koawin est ): 2.502 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 3.37E-010 Octanol/air (Koa) model: 7.8E-011 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1.22E-008 Mackay model : 2.69E-008 Octanol/air (Koa) model: 6.24E-009 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 1.3733 E-12 cm3/molecule-sec Half-Life = 7.789 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 93.464 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 1.96E-008 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 96.63 Log Koc: 1.985 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 = 1.240 (BCF = 17.39) log Kow used: 2.52 (expkow database) Volatilization from Water: Henry LC: 0.0255 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.077 hours Half-Life from Model Lake : 98.33 hours (4.097 days) Removal In Wastewater Treatment: Total removal: 90.89 percent Total biodegradation: 0.03 percent Total sludge adsorption: 1.21 percent Total to Air: 89.66 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 40.6 187 1000 Water 51.2 900 1000 Soil 7.75 1.8e+003 1000 Sediment 0.435 8.1e+003 0 Persistence Time: 154 hr
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