Try beta.chemspider
N,N'-Bis(2,4-dichlorophenyl)-3-methylhexanediamide
CC(CCC(=O)Nc1ccc(cc1Cl)Cl)CC(=O)Nc2ccc(cc2Cl)Cl
InChI=1S/C19H18Cl4N2O2/c1-11(8-19(27)25-17-6-4-13(21)10-15(17)23)2-7-18(26)24-16-5-3-12(20)9-14(16)22/h3-6,9-11H,2,7-8H2,1H3,(H,24,26)(H,25,27)
DPUXJIYWJJPISL-UHFFFAOYSA-N
CSID:2110614, http://www.chemspider.com/Chemical-Structure.2110614.html (accessed 01:29, Jul 6, 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) = 4.71 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 612.13 (Adapted Stein & Brown method) Melting Pt (deg C): 264.98 (Mean or Weighted MP) VP(mm Hg,25 deg C): 8.31E-014 (Modified Grain method) Subcooled liquid VP: 3.55E-011 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): 0.1456 log Kow used: 4.71 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.0031795 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 7.67E-013 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 3.366E-013 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.71 (KowWin est) Log Kaw used: -10.504 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 15.214 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.2248 Biowin2 (Non-Linear Model) : 0.0024 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.2739 (recalcitrant) Biowin4 (Primary Survey Model) : 2.9506 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.1960 Biowin6 (MITI Non-Linear Model): 0.0005 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -2.6488 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): 4.73E-009 Pa (3.55E-011 mm Hg) Log Koa (Koawin est ): 15.214 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 634 Octanol/air (Koa) model: 402 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1 Mackay model : 1 Octanol/air (Koa) model: 1 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 17.7940 E-12 cm3/molecule-sec Half-Life = 0.601 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 7.213 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 1 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 9.956E+004 Log Koc: 4.998 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 = 2.926 (BCF = 843.2) log Kow used: 4.71 (estimated) Volatilization from Water: Henry LC: 7.67E-013 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.616E+009 hours (6.733E+007 days) Half-Life from Model Lake : 1.763E+010 hours (7.346E+008 days) Removal In Wastewater Treatment: Total removal: 66.44 percent Total biodegradation: 0.60 percent Total sludge adsorption: 65.84 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 0.0283 14.4 1000 Water 3.82 4.32e+003 1000 Soil 86.6 8.64e+003 1000 Sediment 9.58 3.89e+004 0 Persistence Time: 7.47e+003 hr
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