1,2-Dichlorobutane
CCC(CCl)Cl
InChI=1S/C4H8Cl2/c1-2-4(6)3-5/h4H,2-3H2,1H3
PQBOTZNYFQWRHU-UHFFFAOYSA-N
CSID:11522, http://www.chemspider.com/Chemical-Structure.11522.html (accessed 10:24, Apr 18, 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) = 2.74 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 124.70 (Adapted Stein & Brown method) Melting Pt (deg C): -67.17 (Mean or Weighted MP) VP(mm Hg,25 deg C): 13 (Mean VP of Antoine & Grain methods) BP (exp database): 124.1 deg C VP (exp database): 2.09E+01 mm Hg at 25 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 431.5 log Kow used: 2.74 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 715.88 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.14E-002 atm-m3/mole Group Method: 4.45E-004 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 5.035E-003 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.74 (KowWin est) Log Kaw used: -0.058 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 2.798 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.4643 Biowin2 (Non-Linear Model) : 0.0758 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.5721 (weeks-months) Biowin4 (Primary Survey Model) : 3.4633 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3850 Biowin6 (MITI Non-Linear Model): 0.1624 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.6133 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): 2.79E+003 Pa (20.9 mm Hg) Log Koa (Koawin est ): 2.798 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.08E-009 Octanol/air (Koa) model: 1.54E-010 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 3.89E-008 Mackay model : 8.61E-008 Octanol/air (Koa) model: 1.23E-008 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 0.9577 E-12 cm3/molecule-sec Half-Life = 11.168 Days (12-hr day; 1.5E6 OH/cm3) Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 6.25E-008 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 130.8 Log Koc: 2.117 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 3.803E-007 L/mol-sec Kb Half-Life at pH 8: 5.775E+004 years Kb Half-Life at pH 7: 5.775E+005 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 1.410 (BCF = 25.71) log Kow used: 2.74 (estimated) Volatilization from Water: Henry LC: 0.000445 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 2.633 hours Half-Life from Model Lake : 123.2 hours (5.134 days) Removal In Wastewater Treatment: Total removal: 19.76 percent Total biodegradation: 0.10 percent Total sludge adsorption: 3.49 percent Total to Air: 16.18 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 8.45 268 1000 Water 17.8 900 1000 Soil 73.6 1.8e+003 1000 Sediment 0.232 8.1e+003 0 Persistence Time: 602 hr
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