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N'~1~,N'~5~-Bis(2-methyl-3-furoyl)pentanedihydrazide
Cc1c(cco1)C(=O)NNC(=O)CCCC(=O)NNC(=O)c2ccoc2C
InChI=1S/C17H20N4O6/c1-10-12(6-8-26-10)16(24)20-18-14(22)4-3-5-15(23)19-21-17(25)13-7-9-27-11(13)2/h6-9H,3-5H2,1-2H3,(H,18,22)(H,19,23)(H,20,24)(H,21,25)
KSDKFNZKNOAGOJ-UHFFFAOYSA-N
CSID:1403904, http://www.chemspider.com/Chemical-Structure.1403904.html (accessed 18:37, Apr 25, 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) = 0.62 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 719.72 (Adapted Stein & Brown method) Melting Pt (deg C): 315.23 (Mean or Weighted MP) VP(mm Hg,25 deg C): 2.69E-017 (Modified Grain method) Subcooled liquid VP: 4.93E-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): 1270 log Kow used: 0.62 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1e+006 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Hydrazines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 4.13E-023 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.049E-020 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 0.62 (KowWin est) Log Kaw used: -20.773 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 21.393 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6777 Biowin2 (Non-Linear Model) : 0.2348 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.2177 (months ) Biowin4 (Primary Survey Model) : 3.1677 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.5165 Biowin6 (MITI Non-Linear Model): 0.0000 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.2112 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): 6.57E-012 Pa (4.93E-014 mm Hg) Log Koa (Koawin est ): 21.393 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 4.56E+005 Octanol/air (Koa) model: 6.07E+008 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 = 118.1538 E-12 cm3/molecule-sec Half-Life = 0.091 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.086 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 : 2815 Log Koc: 3.449 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: 0.62 (estimated) Volatilization from Water: Henry LC: 4.13E-023 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 2.75E+019 hours (1.146E+018 days) Half-Life from Model Lake : 3E+020 hours (1.25E+019 days) Removal In Wastewater Treatment: Total removal: 1.86 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.77 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 2.08e-008 2.17 1000 Water 46.6 1.44e+003 1000 Soil 53.3 2.88e+003 1000 Sediment 0.0944 1.3e+004 0 Persistence Time: 1.22e+003 hr
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