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1,2-Bis(3-chlorophenyl)-N,N,N',N'-tetraethyl-1,2-ethanediamine
Clc1cc(ccc1)C(N(CC)CC)C(c2cccc(Cl)c2)N(CC)CC
InChI=1S/C22H30Cl2N2/c1-5-25(6-2)21(17-11-9-13-19(23)15-17)22(26(7-3)8-4)18-12-10-14-20(24)16-18/h9-16,21-22H,5-8H2,1-4H3
CZVHQKJPEYJNCN-UHFFFAOYSA-N
CSID:9386602, http://www.chemspider.com/Chemical-Structure.9386602.html (accessed 06:29, Jul 9, 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) = 6.26 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 432.64 (Adapted Stein & Brown method) Melting Pt (deg C): 163.52 (Mean or Weighted MP) VP(mm Hg,25 deg C): 4.97E-008 (Modified Grain method) Subcooled liquid VP: 1.32E-006 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): 0.1551 log Kow used: 6.26 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.28851 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.67E-010 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.659E-007 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 6.26 (KowWin est) Log Kaw used: -7.962 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 14.222 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : -0.2151 Biowin2 (Non-Linear Model) : 0.0000 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.4070 (recalcitrant) Biowin4 (Primary Survey Model) : 2.3735 (weeks-months) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.3700 Biowin6 (MITI Non-Linear Model): 0.0005 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -3.0298 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): 0.000176 Pa (1.32E-006 mm Hg) Log Koa (Koawin est ): 14.222 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.017 Octanol/air (Koa) model: 40.9 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.381 Mackay model : 0.577 Octanol/air (Koa) model: 1 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 218.3056 E-12 cm3/molecule-sec Half-Life = 0.049 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.588 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.479 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 3.553E+006 Log Koc: 6.551 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 = 4.119 (BCF = 1.314e+004) log Kow used: 6.26 (estimated) Volatilization from Water: Henry LC: 2.67E-010 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 4.349E+006 hours (1.812E+005 days) Half-Life from Model Lake : 4.745E+007 hours (1.977E+006 days) Removal In Wastewater Treatment: Total removal: 92.99 percent Total biodegradation: 0.77 percent Total sludge adsorption: 92.22 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 0.000434 1.18 1000 Water 0.974 4.32e+003 1000 Soil 56.4 8.64e+003 1000 Sediment 42.6 3.89e+004 0 Persistence Time: 1.33e+004 hr
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