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9,10-Dioxo-9,10-dihydro-2-anthracenesulfonamide
c1ccc2c(c1)C(=O)c3ccc(cc3C2=O)S(=O)(=O)N
InChI=1S/C14H9NO4S/c15-20(18,19)8-5-6-11-12(7-8)14(17)10-4-2-1-3-9(10)13(11)16/h1-7H,(H2,15,18,19)
YDQLKRJCKPVXDL-UHFFFAOYSA-N
CSID:18476487, http://www.chemspider.com/Chemical-Structure.18476487.html (accessed 06:00, Jul 9, 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) = 1.00 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 472.14 (Adapted Stein & Brown method) Melting Pt (deg C): 199.58 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.99E-009 (Modified Grain method) Subcooled liquid VP: 1.38E-007 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): 2024 log Kow used: 1.00 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1967.8 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Quinone/Hydroquinone Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.51E-013 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 3.717E-013 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.00 (KowWin est) Log Kaw used: -11.209 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 12.209 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6244 Biowin2 (Non-Linear Model) : 0.1217 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.5193 (weeks-months) Biowin4 (Primary Survey Model) : 3.3888 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.1444 Biowin6 (MITI Non-Linear Model): 0.0283 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.5500 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): 1.84E-005 Pa (1.38E-007 mm Hg) Log Koa (Koawin est ): 12.209 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.163 Octanol/air (Koa) model: 0.397 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.855 Mackay model : 0.929 Octanol/air (Koa) model: 0.969 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 147.7599 E-12 cm3/molecule-sec Half-Life = 0.072 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.869 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 0.985000 E-17 cm3/molecule-sec Half-Life = 1.163 Days (at 7E11 mol/cm3) Half-Life = 27.923 Hrs Fraction sorbed to airborne particulates (phi): 0.892 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 101.2 Log Koc: 2.005 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 = -0.768 (BCF = 0.1708) log Kow used: 1.00 (estimated) Volatilization from Water: Henry LC: 1.51E-013 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 6.572E+009 hours (2.738E+008 days) Half-Life from Model Lake : 7.169E+010 hours (2.987E+009 days) Removal In Wastewater Treatment: Total removal: 1.89 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 1.85e-005 1.64 1000 Water 40.6 900 1000 Soil 59.3 1.8e+003 1000 Sediment 0.0858 8.1e+003 0 Persistence Time: 1.06e+003 hr
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