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N'~1~,N'~5~-Bis(1-methyl-2-oxo-1,2-dihydro-3H-indol-3-ylidene)pentanedihydrazide
CN1C2C=CC=CC=2C(=NNC(=O)CCCC(=O)NN=C2C3C=CC=CC=3N(C)C2=O)C1=O
InChI=1S/C23H22N6O4/c1-28-16-10-5-3-8-14(16)20(22(28)32)26-24-18(30)12-7-13-19(31)25-27-21-15-9-4-6-11-17(15)29(2)23(21)33/h3-6,8-11H,7,12-13H2,1-2H3,(H,24,30)(H,25,31)
UHQBLGFIILXTKL-UHFFFAOYSA-N
CSID:5249820, http://www.chemspider.com/Chemical-Structure.5249820.html (accessed 05:57, Jun 18, 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) = -0.09 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 774.05 (Adapted Stein & Brown method) Melting Pt (deg C): 340.61 (Mean or Weighted MP) VP(mm Hg,25 deg C): 4.29E-019 (Modified Grain method) Subcooled liquid VP: 1.67E-015 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): 92.37 log Kow used: -0.09 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1333.9 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Hydrazines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 5.35E-021 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.728E-021 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: -0.09 (KowWin est) Log Kaw used: -18.660 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 18.570 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.9553 Biowin2 (Non-Linear Model) : 0.8861 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.1041 (months ) Biowin4 (Primary Survey Model) : 3.6145 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.1480 Biowin6 (MITI Non-Linear Model): 0.0018 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.1443 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): 2.23E-013 Pa (1.67E-015 mm Hg) Log Koa (Koawin est ): 18.570 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.35E+007 Octanol/air (Koa) model: 9.12E+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 = 47.2724 E-12 cm3/molecule-sec Half-Life = 0.226 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 2.715 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 : 2.625E+006 Log Koc: 6.419 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 = 0.500 (BCF = 3.162) log Kow used: -0.09 (estimated) Volatilization from Water: Henry LC: 5.35E-021 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 2.312E+017 hours (9.635E+015 days) Half-Life from Model Lake : 2.523E+018 hours (1.051E+017 days) Removal In Wastewater Treatment: Total removal: 1.85 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.76 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 9.81e-005 5.43 1000 Water 48.9 1.44e+003 1000 Soil 51 2.88e+003 1000 Sediment 0.0958 1.3e+004 0 Persistence Time: 1.18e+003 hr
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