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- Double-bond stereo
2-Hydroxy-N'-[(E)-(2-hydroxy-5-iodophenyl)methylene]-2,2-diphenylacetohydrazide
c1ccc(cc1)C(c2ccccc2)(C(=O)N/N=C/c3cc(ccc3O)I)O
InChI=1S/C21H17IN2O3/c22-18-11-12-19(25)15(13-18)14-23-24-20(26)21(27,16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-14,25,27H,(H,24,26)/b23-14+
XYAVRPZXKJZPPB-OEAKJJBVSA-N
CSID:21263746, http://www.chemspider.com/Chemical-Structure.21263746.html (accessed 07:57, May 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) = 4.13 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 609.11 (Adapted Stein & Brown method) Melting Pt (deg C): 263.57 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.84E-016 (Modified Grain method) Subcooled liquid VP: 7.57E-014 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): 1.222 log Kow used: 4.13 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 75.533 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Hydrazines Phenols Benzyl Alcohols Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 5.92E-017 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 9.357E-017 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.13 (KowWin est) Log Kaw used: -14.616 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 18.746 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : -0.0479 Biowin2 (Non-Linear Model) : 0.0000 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.9988 (months ) Biowin4 (Primary Survey Model) : 2.9353 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.8480 Biowin6 (MITI Non-Linear Model): 0.0000 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.1886 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): 1.01E-011 Pa (7.57E-014 mm Hg) Log Koa (Koawin est ): 18.746 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 2.97E+005 Octanol/air (Koa) model: 1.37E+006 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 = 29.5592 E-12 cm3/molecule-sec Half-Life = 0.362 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 4.342 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 : 1.631E+005 Log Koc: 5.213 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 = 2.478 (BCF = 300.8) log Kow used: 4.13 (estimated) Volatilization from Water: Henry LC: 5.92E-017 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 2.149E+013 hours (8.955E+011 days) Half-Life from Model Lake : 2.345E+014 hours (9.77E+012 days) Removal In Wastewater Treatment: Total removal: 36.33 percent Total biodegradation: 0.37 percent Total sludge adsorption: 35.96 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 0.0056 8.68 1000 Water 8.44 1.44e+003 1000 Soil 88.1 2.88e+003 1000 Sediment 3.47 1.3e+004 0 Persistence Time: 2.9e+003 hr
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