Try beta.chemspider
1-(2,4-Dinitrophenyl)-2-(2-nitro-1-phenylethylidene)hydrazine
c1ccc(cc1)C(=NNc2ccc(cc2[N+](=O)[O-])[N+](=O)[O-])C[N+](=O)[O-]
InChI=1S/C14H11N5O6/c20-17(21)9-13(10-4-2-1-3-5-10)16-15-12-7-6-11(18(22)23)8-14(12)19(24)25/h1-8,15H,9H2
JAQCPAXZIWDPAR-UHFFFAOYSA-N
CSID:257121, http://www.chemspider.com/Chemical-Structure.257121.html (accessed 18:51, Jul 6, 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) = 0.92 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 655.42 (Adapted Stein & Brown method) Melting Pt (deg C): 285.20 (Mean or Weighted MP) VP(mm Hg,25 deg C): 3.34E-018 (Modified Grain method) Subcooled liquid VP: 2.55E-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): 431.8 log Kow used: 0.92 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 13.285 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Hydrazines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.34E-024 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 3.524E-021 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 0.92 (KowWin est) Log Kaw used: -22.261 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 23.181 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.4057 Biowin2 (Non-Linear Model) : 0.0680 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.2864 (weeks-months) Biowin4 (Primary Survey Model) : 3.2446 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.3997 Biowin6 (MITI Non-Linear Model): 0.0003 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.3350 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): 3.4E-013 Pa (2.55E-015 mm Hg) Log Koa (Koawin est ): 23.181 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 8.82E+006 Octanol/air (Koa) model: 3.72E+010 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 = 5.5656 E-12 cm3/molecule-sec Half-Life = 1.922 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 23.062 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 : 7.939E+004 Log Koc: 4.900 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: 0.92 (estimated) Volatilization from Water: Henry LC: 1.34E-024 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 8.131E+020 hours (3.388E+019 days) Half-Life from Model Lake : 8.87E+021 hours (3.696E+020 days) Removal In Wastewater Treatment: Total removal: 1.88 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.79 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 1.26e-008 46.1 1000 Water 41.5 900 1000 Soil 58.4 1.8e+003 1000 Sediment 0.0862 8.1e+003 0 Persistence Time: 1.04e+003 hr
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