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N-{2-[2-(2,3-Dichlorophenoxy)ethoxy]ethyl}-1,2-ethanediamine
c1cc(c(c(c1)Cl)Cl)OCCOCCNCCN
InChI=1S/C12H18Cl2N2O2/c13-10-2-1-3-11(12(10)14)18-9-8-17-7-6-16-5-4-15/h1-3,16H,4-9,15H2
XRAXGLLSVNQGHR-UHFFFAOYSA-N
CSID:1701639, http://www.chemspider.com/Chemical-Structure.1701639.html (accessed 12:47, Aug 1, 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) = 1.59 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 370.08 (Adapted Stein & Brown method) Melting Pt (deg C): 137.70 (Mean or Weighted MP) VP(mm Hg,25 deg C): 3.21E-006 (Modified Grain method) Subcooled liquid VP: 4.38E-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): 5955 log Kow used: 1.59 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 29179 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.11E-013 atm-m3/mole Group Method: 1.14E-014 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 2.080E-010 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.59 (KowWin est) Log Kaw used: -11.343 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 12.933 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.3353 Biowin2 (Non-Linear Model) : 0.0156 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.1201 (months ) Biowin4 (Primary Survey Model) : 3.2480 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4367 Biowin6 (MITI Non-Linear Model): 0.0577 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.1765 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): 0.00584 Pa (4.38E-005 mm Hg) Log Koa (Koawin est ): 12.933 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.000514 Octanol/air (Koa) model: 2.1 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.0182 Mackay model : 0.0395 Octanol/air (Koa) model: 0.994 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 161.2099 E-12 cm3/molecule-sec Half-Life = 0.066 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.796 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.0288 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 994.7 Log Koc: 2.998 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 = 0.528 (BCF = 3.372) log Kow used: 1.59 (estimated) Volatilization from Water: Henry LC: 1.14E-014 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 8.794E+010 hours (3.664E+009 days) Half-Life from Model Lake : 9.594E+011 hours (3.997E+010 days) Removal In Wastewater Treatment: Total removal: 2.00 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.91 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 1.02e-007 1.59 1000 Water 32.6 1.44e+003 1000 Soil 67.3 2.88e+003 1000 Sediment 0.0884 1.3e+004 0 Persistence Time: 1.55e+003 hr
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