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N'~1~,N'~10~-Bis[(5-nitro-2-furyl)methylene]decanedihydrazide
c1cc(oc1C=NNC(=O)CCCCCCCCC(=O)NN=Cc2ccc(o2)[N+](=O)[O-])[N+](=O)[O-]
InChI=1S/C20H24N6O8/c27-17(23-21-13-15-9-11-19(33-15)25(29)30)7-5-3-1-2-4-6-8-18(28)24-22-14-16-10-12-20(34-16)26(31)32/h9-14H,1-8H2,(H,23,27)(H,24,28)
ONAUKRHXWZFMGH-UHFFFAOYSA-N
CSID:3141259, http://www.chemspider.com/Chemical-Structure.3141259.html (accessed 21:24, Jul 15, 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) = 2.74 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 707.01 (Adapted Stein & Brown method) Melting Pt (deg C): 309.30 (Mean or Weighted MP) VP(mm Hg,25 deg C): 7.03E-017 (Modified Grain method) Subcooled liquid VP: 1.08E-013 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): 1.878 log Kow used: 2.74 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 16.123 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Hydrazines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.41E-017 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.347E-017 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.74 (KowWin est) Log Kaw used: -15.239 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 17.979 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : -0.0894 Biowin2 (Non-Linear Model) : 0.0002 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.8071 (months ) Biowin4 (Primary Survey Model) : 2.9436 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.6718 Biowin6 (MITI Non-Linear Model): 0.0000 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.3003 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): 1.44E-011 Pa (1.08E-013 mm Hg) Log Koa (Koawin est ): 17.979 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 2.08E+005 Octanol/air (Koa) model: 2.34E+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 = 55.2336 E-12 cm3/molecule-sec Half-Life = 0.194 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 2.324 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 : 2.686E+006 Log Koc: 6.429 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 = 1.411 (BCF = 25.78) log Kow used: 2.74 (estimated) Volatilization from Water: Henry LC: 1.41E-017 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 9.064E+013 hours (3.777E+012 days) Half-Life from Model Lake : 9.888E+014 hours (4.12E+013 days) Removal In Wastewater Treatment: Total removal: 4.00 percent Total biodegradation: 0.11 percent Total sludge adsorption: 3.89 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 0.00147 4.65 1000 Water 12.4 1.44e+003 1000 Soil 87.5 2.88e+003 1000 Sediment 0.172 1.3e+004 0 Persistence Time: 2.52e+003 hr
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