- Double-bond stereo
N'-{(E)-[2-(Diisobutylamino)-5-nitrophenyl]methylene}-2-(2-methoxyphenoxy)acetohydrazide
[O-][N+](=O)c1cc(c(N(CC(C)C)CC(C)C)cc1)/C=N/NC(=O)COc2ccccc2OC
InChI=1S/C24H32N4O5/c1-17(2)14-27(15-18(3)4)21-11-10-20(28(30)31)12-19(21)13-25-26-24(29)16-33-23-9-7-6-8-22(23)32-5/h6-13,17-18H,14-16H2,1-5H3,(H,26,29)/b25-13+
JPQVDONUERTTJM-DHRITJCHSA-N
CSID:7873196, http://www.chemspider.com/Chemical-Structure.7873196.html (accessed 16:00, 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) = 2.77 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 759.19 (Adapted Stein & Brown method) Melting Pt (deg C): 333.67 (Mean or Weighted MP) VP(mm Hg,25 deg C): 3.51E-022 (Modified Grain method) Subcooled liquid VP: 1.11E-018 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): 5.771 log Kow used: 2.77 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.9225 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Hydrazines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 4.16E-025 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 3.662E-023 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.77 (KowWin est) Log Kaw used: -22.769 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 25.539 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.5883 Biowin2 (Non-Linear Model) : 0.2288 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.8170 (months ) Biowin4 (Primary Survey Model) : 3.0538 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.2560 Biowin6 (MITI Non-Linear Model): 0.0018 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.6070 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): 1.48E-016 Pa (1.11E-018 mm Hg) Log Koa (Koawin est ): 25.539 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 2.03E+010 Octanol/air (Koa) model: 8.49E+012 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 = 95.6585 E-12 cm3/molecule-sec Half-Life = 0.112 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.342 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 : 7.104E+005 Log Koc: 5.851 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 = 1.432 (BCF = 27.02) log Kow used: 2.77 (estimated) Volatilization from Water: Henry LC: 4.16E-025 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 3.011E+021 hours (1.254E+020 days) Half-Life from Model Lake : 3.284E+022 hours (1.368E+021 days) Removal In Wastewater Treatment: Total removal: 4.15 percent Total biodegradation: 0.11 percent Total sludge adsorption: 4.04 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 5.03e-006 2.68 1000 Water 12.1 1.44e+003 1000 Soil 87.7 2.88e+003 1000 Sediment 0.179 1.3e+004 0 Persistence Time: 2.56e+003 hr
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