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- Double-bond stereo
2,4-Dichloro-N'-{(E)-[4-(diethylamino)-2-hydroxyphenyl]methylene}benzohydrazide
CCN(CC)c1ccc(c(c1)O)/C=N/NC(=O)c2ccc(cc2Cl)Cl
InChI=1S/C18H19Cl2N3O2/c1-3-23(4-2)14-7-5-12(17(24)10-14)11-21-22-18(25)15-8-6-13(19)9-16(15)20/h5-11,24H,3-4H2,1-2H3,(H,22,25)/b21-11+
OEHKARFRWLWCQW-SRZZPIQSSA-N
CSID:12666208, http://www.chemspider.com/Chemical-Structure.12666208.html (accessed 11:28, May 25, 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) = 4.38 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 536.80 (Adapted Stein & Brown method) Melting Pt (deg C): 229.79 (Mean or Weighted MP) VP(mm Hg,25 deg C): 2.16E-012 (Modified Grain method) Subcooled liquid VP: 3.44E-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): 0.7313 log Kow used: 4.38 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 2.8282 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Hydrazines Phenols Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 7.65E-016 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.478E-012 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.38 (KowWin est) Log Kaw used: -13.505 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 17.885 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.1122 Biowin2 (Non-Linear Model) : 0.0004 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.7472 (recalcitrant) Biowin4 (Primary Survey Model) : 2.7201 (weeks-months) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.2882 Biowin6 (MITI Non-Linear Model): 0.0006 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.6093 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): 4.59E-008 Pa (3.44E-010 mm Hg) Log Koa (Koawin est ): 17.885 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 65.4 Octanol/air (Koa) model: 1.88E+005 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 = 225.2870 E-12 cm3/molecule-sec Half-Life = 0.047 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.570 Hrs Ozone Reaction: No Ozone Reaction Estimation Reaction With Nitrate Radicals May Be Important! 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 : 5.691E+004 Log Koc: 4.755 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 = 2.675 (BCF = 473.6) log Kow used: 4.38 (estimated) Volatilization from Water: Henry LC: 7.65E-016 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.492E+012 hours (6.219E+010 days) Half-Life from Model Lake : 1.628E+013 hours (6.784E+011 days) Removal In Wastewater Treatment: Total removal: 49.60 percent Total biodegradation: 0.47 percent Total sludge adsorption: 49.12 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 4.85e-006 1.14 1000 Water 3.7 4.32e+003 1000 Soil 92.1 8.64e+003 1000 Sediment 4.2 3.89e+004 0 Persistence Time: 8.45e+003 hr
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