1,2-Dichlorobenzene
c1ccc(c(c1)Cl)Cl
InChI=1S/C6H4Cl2/c7-5-3-1-2-4-6(5)8/h1-4H
RFFLAFLAYFXFSW-UHFFFAOYSA-N
CSID:13837988, http://www.chemspider.com/Chemical-Structure.13837988.html (accessed 04:47, Jun 9, 2023)
Validated by Experts, Validated by Users, Non-Validated, Removed by Users
Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module
Predicted data is generated using the US Environmental Protection Agency�s EPISuite
Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = 3.28 Log Kow (Exper. database match) = 3.43 Exper. Ref: Hansch,C et al. (1995) Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 174.69 (Adapted Stein & Brown method) Melting Pt (deg C): -14.33 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.965 (Mean VP of Antoine & Grain methods) MP (exp database): -16.7 deg C BP (exp database): 180 deg C VP (exp database): 1.47E+00 mm Hg at 25 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 92.03 log Kow used: 3.43 (expkow database) no-melting pt equation used Water Sol (Exper. database match) = 156 mg/L (25 deg C) Exper. Ref: BANERJEE,S ET AL. (1980) Water Sol (Exper. database match) = 80 mg/L (25 deg C) Exper. Ref: SHIU,WY ET AL. (1990) Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 104.13 mg/L Wat Sol (Exper. database match) = 156.00 Exper. Ref: BANERJEE,S ET AL. (1980) Wat Sol (Exper. database match) = 80.00 Exper. Ref: SHIU,WY ET AL. (1990) ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.96E-003 atm-m3/mole Group Method: 3.88E-003 atm-m3/mole Exper Database: 1.92E-03 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 2.028E-003 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.43 (exp database) Log Kaw used: -1.105 (exp database) Log Koa (KOAWIN v1.10 estimate): 4.535 Log Koa (experimental database): 4.360 Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.3127 Biowin2 (Non-Linear Model) : 0.0427 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.4611 (weeks-months) Biowin4 (Primary Survey Model) : 3.3050 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3200 Biowin6 (MITI Non-Linear Model): 0.1576 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.3502 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): 196 Pa (1.47 mm Hg) Log Koa (Exp database): 4.360 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.53E-008 Octanol/air (Koa) model: 5.62E-009 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 5.53E-007 Mackay model : 1.22E-006 Octanol/air (Koa) model: 4.5E-007 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 0.4005 E-12 cm3/molecule-sec Half-Life = 26.708 Days (12-hr day; 1.5E6 OH/cm3) Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 8.89E-007 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 443.1 Log Koc: 2.646 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Rate constants can NOT be estimated for this structure! Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 1.941 (BCF = 87.32) log Kow used: 3.43 (expkow database) Volatilization from Water: Henry LC: 0.00192 atm-m3/mole (Henry experimental database) Half-Life from Model River: 1.607 hours Half-Life from Model Lake : 119.2 hours (4.966 days) Removal In Wastewater Treatment: Total removal: 48.66 percent Total biodegradation: 0.11 percent Total sludge adsorption: 9.07 percent Total to Air: 39.47 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 9.33 611 1000 Water 13.4 900 1000 Soil 76.4 1.8e+003 1000 Sediment 0.826 8.1e+003 0 Persistence Time: 636 hr
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