- Double-bond stereo
N'-[(E)-{3-Ethoxy-4-[2-(4-morpholinyl)ethoxy]phenyl}methylene]-4-methoxybenzenesulfonohydrazide
CCOc1cc(ccc1OCCN2CCOCC2)/C=N/NS(=O)(=O)c3ccc(cc3)OC
InChI=1S/C22H29N3O6S/c1-3-30-22-16-18(4-9-21(22)31-15-12-25-10-13-29-14-11-25)17-23-24-32(26,27)20-7-5-19(28-2)6-8-20/h4-9,16-17,24H,3,10-15H2,1-2H3/b23-17+
BEIAJQLZVSOUFR-HAVVHWLPSA-N
CSID:4505458, http://www.chemspider.com/Chemical-Structure.4505458.html (accessed 07:47, Mar 29, 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) = 1.94 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 580.35 (Adapted Stein & Brown method) Melting Pt (deg C): 250.13 (Mean or Weighted MP) VP(mm Hg,25 deg C): 8.53E-013 (Modified Grain method) Subcooled liquid VP: 2.39E-010 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): 26.92 log Kow used: 1.94 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 33.669 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.13E-016 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.933E-014 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.94 (KowWin est) Log Kaw used: -14.335 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 16.275 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.3700 Biowin2 (Non-Linear Model) : 0.0772 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.7369 (recalcitrant) Biowin4 (Primary Survey Model) : 3.1126 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.1111 Biowin6 (MITI Non-Linear Model): 0.0114 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.1581 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): 3.19E-008 Pa (2.39E-010 mm Hg) Log Koa (Koawin est ): 16.275 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 94.1 Octanol/air (Koa) model: 4.62E+003 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 = 235.8996 E-12 cm3/molecule-sec Half-Life = 0.045 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.544 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 : 1.12E+005 Log Koc: 5.049 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 = 0.794 (BCF = 6.228) log Kow used: 1.94 (estimated) Volatilization from Water: Henry LC: 1.13E-016 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.116E+013 hours (4.648E+011 days) Half-Life from Model Lake : 1.217E+014 hours (5.071E+012 days) Removal In Wastewater Treatment: Total removal: 2.19 percent Total biodegradation: 0.10 percent Total sludge adsorption: 2.10 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 3.38e-006 1.09 1000 Water 25 4.32e+003 1000 Soil 74.9 8.64e+003 1000 Sediment 0.0946 3.89e+004 0 Persistence Time: 2.85e+003 hr
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