Try beta.chemspider
- Double-bond stereo
2-(4-Chloro-2-methylphenoxy)-N'-[(1E,2E)-3,7-dimethyl-2,6-octadien-1-ylidene]acetohydrazide
Clc1cc(c(OCC(=O)N/N=C/C=C(\C)CC\C=C(/C)C)cc1)C
InChI=1S/C19H25ClN2O2/c1-14(2)6-5-7-15(3)10-11-21-22-19(23)13-24-18-9-8-17(20)12-16(18)4/h6,8-12H,5,7,13H2,1-4H3,(H,22,23)/b15-10+,21-11+
ZXWYLZHINVPNCG-AOTDNBOZSA-N
CSID:7908981, http://www.chemspider.com/Chemical-Structure.7908981.html (accessed 01:30, May 5, 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) = 6.20 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 481.93 (Adapted Stein & Brown method) Melting Pt (deg C): 195.68 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.26E-009 (Modified Grain method) Subcooled liquid VP: 7.83E-008 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): 0.03217 log Kow used: 6.20 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.76668 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Hydrazines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.03E-008 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.798E-008 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 6.20 (KowWin est) Log Kaw used: -6.376 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 12.576 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.5856 Biowin2 (Non-Linear Model) : 0.2432 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.0886 (months ) Biowin4 (Primary Survey Model) : 3.1876 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.0529 Biowin6 (MITI Non-Linear Model): 0.0113 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.5199 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): 1.04E-005 Pa (7.83E-008 mm Hg) Log Koa (Koawin est ): 12.576 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.287 Octanol/air (Koa) model: 0.925 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.912 Mackay model : 0.958 Octanol/air (Koa) model: 0.987 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 196.0513 E-12 cm3/molecule-sec Half-Life = 0.055 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.655 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 86.000000 E-17 cm3/molecule-sec Half-Life = 0.013 Days (at 7E11 mol/cm3) Half-Life = 19.189 Min Reaction With Nitrate Radicals May Be Important! Fraction sorbed to airborne particulates (phi): 0.935 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.66E+005 Log Koc: 5.220 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 = 4.071 (BCF = 1.178e+004) log Kow used: 6.20 (estimated) Volatilization from Water: Henry LC: 1.03E-008 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.062E+005 hours (4424 days) Half-Life from Model Lake : 1.158E+006 hours (4.827E+004 days) Removal In Wastewater Treatment: Total removal: 92.84 percent Total biodegradation: 0.77 percent Total sludge adsorption: 92.07 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 0.003 0.257 1000 Water 2.47 1.44e+003 1000 Soil 34.8 2.88e+003 1000 Sediment 62.7 1.3e+004 0 Persistence Time: 4.04e+003 hr
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