Try beta.chemspider
5-Chloro-2-(4-chlorophenoxy)-N,N-dimethyl-1,4-benzenediamine
CN(C)c1cc(c(cc1Oc2ccc(cc2)Cl)N)Cl
InChI=1S/C14H14Cl2N2O/c1-18(2)13-7-11(16)12(17)8-14(13)19-10-5-3-9(15)4-6-10/h3-8H,17H2,1-2H3
VVCPHTYRZMNORC-UHFFFAOYSA-N
CSID:2287763, http://www.chemspider.com/Chemical-Structure.2287763.html (accessed 11:48, Apr 24, 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) = 3.76 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 397.15 (Adapted Stein & Brown method) Melting Pt (deg C): 149.61 (Mean or Weighted MP) VP(mm Hg,25 deg C): 5.27E-007 (Modified Grain method) Subcooled liquid VP: 9.75E-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): 7.854 log Kow used: 3.76 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 8.3398 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aromatic Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.63E-010 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.624E-008 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.76 (KowWin est) Log Kaw used: -7.829 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 11.589 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : -0.0659 Biowin2 (Non-Linear Model) : 0.0008 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.6814 (recalcitrant) Biowin4 (Primary Survey Model) : 2.7690 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.1568 Biowin6 (MITI Non-Linear Model): 0.0015 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.8748 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): 0.0013 Pa (9.75E-006 mm Hg) Log Koa (Koawin est ): 11.589 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.00231 Octanol/air (Koa) model: 0.0953 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.0769 Mackay model : 0.156 Octanol/air (Koa) model: 0.884 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 202.5296 E-12 cm3/molecule-sec Half-Life = 0.053 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.634 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.116 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 5297 Log Koc: 3.724 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 = 2.195 (BCF = 156.6) log Kow used: 3.76 (estimated) Volatilization from Water: Henry LC: 3.63E-010 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 2.781E+006 hours (1.159E+005 days) Half-Life from Model Lake : 3.033E+007 hours (1.264E+006 days) Removal In Wastewater Treatment: Total removal: 20.42 percent Total biodegradation: 0.24 percent Total sludge adsorption: 20.18 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 0.000657 1.27 1000 Water 4.46 4.32e+003 1000 Soil 94.5 8.64e+003 1000 Sediment 1 3.89e+004 0 Persistence Time: 7.6e+003 hr
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