Try beta.chemspider
9-Hydrazono-N,N'-bis(2-hydroxyethyl)-9H-fluorene-2,7-disulfonamide
c1cc-2c(cc1S(=O)(=O)NCCO)C(=NN)c3c2ccc(c3)S(=O)(=O)NCCO
InChI=1S/C17H20N4O6S2/c18-21-17-15-9-11(28(24,25)19-5-7-22)1-3-13(15)14-4-2-12(10-16(14)17)29(26,27)20-6-8-23/h1-4,9-10,19-20,22-23H,5-8,18H2
NJHOMEQJJJRFRZ-UHFFFAOYSA-N
CSID:1714949, http://www.chemspider.com/Chemical-Structure.1714949.html (accessed 21:10, May 10, 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) = -0.54 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 686.19 (Adapted Stein & Brown method) Melting Pt (deg C): 299.57 (Mean or Weighted MP) VP(mm Hg,25 deg C): 4.3E-020 (Modified Grain method) Subcooled liquid VP: 4.98E-017 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): 384.8 log Kow used: -0.54 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 30016 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Hydrazines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.46E-021 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 6.477E-023 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: -0.54 (KowWin est) Log Kaw used: -19.224 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 18.684 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8553 Biowin2 (Non-Linear Model) : 0.2668 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.5457 (weeks-months) Biowin4 (Primary Survey Model) : 3.4711 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.0291 Biowin6 (MITI Non-Linear Model): 0.0032 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.6330 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): 6.64E-015 Pa (4.98E-017 mm Hg) Log Koa (Koawin est ): 18.684 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 4.52E+008 Octanol/air (Koa) model: 1.19E+006 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 = 31.4274 E-12 cm3/molecule-sec Half-Life = 0.340 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 4.084 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 : 701 Log Koc: 2.846 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: -0.54 (estimated) Volatilization from Water: Henry LC: 1.46E-021 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 8.416E+017 hours (3.507E+016 days) Half-Life from Model Lake : 9.182E+018 hours (3.826E+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 0.000821 8.17 1000 Water 46.3 900 1000 Soil 53.6 1.8e+003 1000 Sediment 0.089 8.1e+003 0 Persistence Time: 974 hr
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