Try beta.chemspider
1,4-Dichloro-2-(2,5-dichlorobenzyl)-5-methylbenzene
Cc1cc(c(cc1Cl)Cc2cc(ccc2Cl)Cl)Cl
InChI=1S/C14H10Cl4/c1-8-4-14(18)10(7-13(8)17)5-9-6-11(15)2-3-12(9)16/h2-4,6-7H,5H2,1H3
FLNHUBDFYWZFMU-UHFFFAOYSA-N
CSID:156659, http://www.chemspider.com/Chemical-Structure.156659.html (accessed 22:39, Jun 15, 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) = 7.14 Log Kow (Exper. database match) = 7.48 Exper. Ref: van Haelst,AG et al. (1994) Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 368.63 (Adapted Stein & Brown method) Melting Pt (deg C): 128.56 (Mean or Weighted MP) VP(mm Hg,25 deg C): 4.38E-006 (Modified Grain method) Subcooled liquid VP: 4.75E-005 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): 0.003831 log Kow used: 7.48 (expkow database) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.0030614 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.60E-004 atm-m3/mole Group Method: 5.35E-005 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 4.815E-004 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 7.48 (exp database) Log Kaw used: -2.184 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 9.664 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : -0.0252 Biowin2 (Non-Linear Model) : 0.0002 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.5158 (recalcitrant) Biowin4 (Primary Survey Model) : 2.5876 (weeks-months) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.1885 Biowin6 (MITI Non-Linear Model): 0.0011 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.7437 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): 0.00633 Pa (4.75E-005 mm Hg) Log Koa (Koawin est ): 9.664 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.000474 Octanol/air (Koa) model: 0.00113 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.0168 Mackay model : 0.0365 Octanol/air (Koa) model: 0.0831 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 3.3389 E-12 cm3/molecule-sec Half-Life = 3.203 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 38.442 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.0267 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.339E+005 Log Koc: 5.127 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 = 4.152 (BCF = 1.42e+004) log Kow used: 7.48 (expkow database) Volatilization from Water: Henry LC: 5.35E-005 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 21.4 hours Half-Life from Model Lake : 383.5 hours (15.98 days) Removal In Wastewater Treatment: Total removal: 93.97 percent Total biodegradation: 0.78 percent Total sludge adsorption: 93.19 percent Total to Air: 0.00 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.155 76.9 1000 Water 0.78 4.32e+003 1000 Soil 39.6 8.64e+003 1000 Sediment 59.4 3.89e+004 0 Persistence Time: 1.08e+004 hr
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