Try beta.chemspider
2,4-Dichloropentane
CC(CC(C)Cl)Cl
InChI=1S/C5H10Cl2/c1-4(6)3-5(2)7/h4-5H,3H2,1-2H3
DYGOBGYJRRKFEN-UHFFFAOYSA-N
CSID:11758, http://www.chemspider.com/Chemical-Structure.11758.html (accessed 17:12, Apr 26, 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) = 3.16 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 121.26 (Adapted Stein & Brown method) Melting Pt (deg C): -70.04 (Mean or Weighted MP) VP(mm Hg,25 deg C): 5.05 (Mean VP of Antoine & Grain methods) BP (exp database): 145 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 166.6 log Kow used: 3.16 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 386.87 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.84E-002 atm-m3/mole Group Method: 7.22E-004 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 5.625E-003 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.16 (KowWin est) Log Kaw used: 0.065 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 3.095 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.4576 Biowin2 (Non-Linear Model) : 0.0630 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.5411 (weeks-months) Biowin4 (Primary Survey Model) : 3.4430 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2436 Biowin6 (MITI Non-Linear Model): 0.0721 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.3419 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): 617 Pa (4.63 mm Hg) Log Koa (Koawin est ): 3.095 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 4.86E-009 Octanol/air (Koa) model: 3.05E-010 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1.76E-007 Mackay model : 3.89E-007 Octanol/air (Koa) model: 2.44E-008 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 2.0325 E-12 cm3/molecule-sec Half-Life = 5.263 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 63.150 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 2.82E-007 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 193 Log Koc: 2.286 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 1.546E-011 L/mol-sec Kb Half-Life at pH 8: 1.421E+009 years Kb Half-Life at pH 7: 1.421E+010 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 1.732 (BCF = 53.9) log Kow used: 3.16 (estimated) Volatilization from Water: Henry LC: 0.000722 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 2.175 hours Half-Life from Model Lake : 123.3 hours (5.138 days) Removal In Wastewater Treatment: Total removal: 28.61 percent Total biodegradation: 0.11 percent Total sludge adsorption: 6.30 percent Total to Air: 22.20 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 5.81 126 1000 Water 13.9 900 1000 Soil 79.8 1.8e+003 1000 Sediment 0.454 8.1e+003 0 Persistence Time: 688 hr
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