1-Chloro-3,3-dimethylbutane
CC(C)(C)CCCl
InChI=1S/C6H13Cl/c1-6(2,3)4-5-7/h4-5H2,1-3H3
XGCKOSFYXBAPQM-UHFFFAOYSA-N
CSID:68597, http://www.chemspider.com/Chemical-Structure.68597.html (accessed 18:43, Apr 19, 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) = 3.43 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 112.36 (Adapted Stein & Brown method) Melting Pt (deg C): -65.75 (Mean or Weighted MP) VP(mm Hg,25 deg C): 19.5 (Mean VP of Antoine & Grain methods) BP (exp database): 115 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 117.3 log Kow used: 3.43 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 268.07 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.38E-002 atm-m3/mole Group Method: 4.35E-002 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 2.638E-002 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.43 (KowWin est) Log Kaw used: 0.140 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 3.290 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.3948 Biowin2 (Non-Linear Model) : 0.0928 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.5473 (weeks-months) Biowin4 (Primary Survey Model) : 3.4197 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.5221 Biowin6 (MITI Non-Linear Model): 0.4306 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.3005 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): 2.44E+003 Pa (18.3 mm Hg) Log Koa (Koawin est ): 3.290 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.23E-009 Octanol/air (Koa) model: 4.79E-010 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 4.44E-008 Mackay model : 9.84E-008 Octanol/air (Koa) model: 3.83E-008 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 1.3520 E-12 cm3/molecule-sec Half-Life = 7.911 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 94.937 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 7.14E-008 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 178.2 Log Koc: 2.251 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 6.195E-014 L/mol-sec Kb Half-Life at pH 8: 3.545E+011 years Kb Half-Life at pH 7: 3.545E+012 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 1.942 (BCF = 87.46) log Kow used: 3.43 (estimated) Volatilization from Water: Henry LC: 0.0338 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.14 hours Half-Life from Model Lake : 104.5 hours (4.355 days) Removal In Wastewater Treatment: Total removal: 93.23 percent Total biodegradation: 0.04 percent Total sludge adsorption: 6.39 percent Total to Air: 86.80 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 29.8 190 1000 Water 38.2 900 1000 Soil 29.6 1.8e+003 1000 Sediment 2.35 8.1e+003 0 Persistence Time: 206 hr
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