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N'-(2-Furylmethylene)-2-iodobenzohydrazide
c1ccc(c(c1)C(=O)NN=Cc2ccco2)I
InChI=1S/C12H9IN2O2/c13-11-6-2-1-5-10(11)12(16)15-14-8-9-4-3-7-17-9/h1-8H,(H,15,16)
KBTHKHIRKQZIAD-UHFFFAOYSA-N
CSID:839400, http://www.chemspider.com/Chemical-Structure.839400.html (accessed 15:09, Jul 26, 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) = 2.58 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 435.68 (Adapted Stein & Brown method) Melting Pt (deg C): 175.74 (Mean or Weighted MP) VP(mm Hg,25 deg C): 3.03E-008 (Modified Grain method) Subcooled liquid VP: 1.11E-006 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): 44.23 log Kow used: 2.58 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 38.229 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Hydrazines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.11E-010 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 3.066E-010 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.58 (KowWin est) Log Kaw used: -8.343 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 10.923 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : -0.1730 Biowin2 (Non-Linear Model) : 0.0000 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.4026 (weeks-months) Biowin4 (Primary Survey Model) : 3.2300 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.6360 Biowin6 (MITI Non-Linear Model): 0.0000 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.2012 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): 0.000148 Pa (1.11E-006 mm Hg) Log Koa (Koawin est ): 10.923 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.0203 Octanol/air (Koa) model: 0.0206 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.423 Mackay model : 0.619 Octanol/air (Koa) model: 0.622 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 104.6968 E-12 cm3/molecule-sec Half-Life = 0.102 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.226 Hrs Ozone Reaction: No Ozone Reaction Estimation Reaction With Nitrate Radicals May Be Important! Fraction sorbed to airborne particulates (phi): 0.521 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 6625 Log Koc: 3.821 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 = 1.289 (BCF = 19.45) log Kow used: 2.58 (estimated) Volatilization from Water: Henry LC: 1.11E-010 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 9.728E+006 hours (4.053E+005 days) Half-Life from Model Lake : 1.061E+008 hours (4.422E+006 days) Removal In Wastewater Treatment: Total removal: 3.34 percent Total biodegradation: 0.10 percent Total sludge adsorption: 3.24 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 0.00174 2.45 1000 Water 15.4 900 1000 Soil 84.4 1.8e+003 1000 Sediment 0.147 8.1e+003 0 Persistence Time: 1.66e+003 hr
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