Try beta.chemspider
2,3-Dichloronaphthalene
c1ccc2cc(c(cc2c1)Cl)Cl
InChI=1S/C10H6Cl2/c11-9-5-7-3-1-2-4-8(7)6-10(9)12/h1-6H
SKGXUFZRYNGFJS-UHFFFAOYSA-N
CSID:15478, http://www.chemspider.com/Chemical-Structure.15478.html (accessed 15:54, Jul 8, 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) = 4.46 Log Kow (Exper. database match) = 4.42 Exper. Ref: Hansch,C et al. (1995) Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 286.30 (Adapted Stein & Brown method) Melting Pt (deg C): 63.40 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.00176 (Modified Grain method) Subcooled liquid VP: 0.00403 mm Hg (25 deg C, Mod-Grain method) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 7.608 log Kow used: 4.42 (expkow database) no-melting pt equation used Water Sol (Exper. database match) = 0.0867 mg/L (25 deg C) Exper. Ref: OPPERHUIZEN,A ET AL (1985) Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 2.473 mg/L Wat Sol (Exper. database match) = 0.09 Exper. Ref: OPPERHUIZEN,A ET AL (1985) ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.89E-004 atm-m3/mole Group Method: 2.68E-004 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 5.999E-005 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.42 (exp database) Log Kaw used: -1.928 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 6.348 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.2889 Biowin2 (Non-Linear Model) : 0.0214 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.3505 (weeks-months) Biowin4 (Primary Survey Model) : 3.2327 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.1875 Biowin6 (MITI Non-Linear Model): 0.0531 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.5410 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): 0.537 Pa (0.00403 mm Hg) Log Koa (Koawin est ): 6.348 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 5.58E-006 Octanol/air (Koa) model: 5.47E-007 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.000202 Mackay model : 0.000446 Octanol/air (Koa) model: 4.38E-005 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 4.4364 E-12 cm3/molecule-sec Half-Life = 2.411 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 28.931 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.000324 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 4920 Log Koc: 3.692 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 = 3.323 (BCF = 2106) log Kow used: 4.42 (expkow database) Volatilization from Water: Henry LC: 0.000268 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 4.499 hours Half-Life from Model Lake : 166.8 hours (6.95 days) Removal In Wastewater Treatment: Total removal: 55.37 percent Total biodegradation: 0.46 percent Total sludge adsorption: 49.64 percent Total to Air: 5.28 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 2.03 57.9 1000 Water 10.3 900 1000 Soil 81.2 1.8e+003 1000 Sediment 6.45 8.1e+003 0 Persistence Time: 1.05e+003 hr
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