Try beta.chemspider
Benzenesulfonohydrazide
c1ccc(cc1)S(=O)(=O)NN
InChI=1S/C6H8N2O2S/c7-8-11(9,10)6-4-2-1-3-5-6/h1-5,8H,7H2
VJRITMATACIYAF-UHFFFAOYSA-N
CSID:59146, http://www.chemspider.com/Chemical-Structure.59146.html (accessed 08:53, May 13, 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) = 0.01 Log Kow (Exper. database match) = -0.14 Exper. Ref: Hansch,C et al. (1995) Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 319.21 (Adapted Stein & Brown method) Melting Pt (deg C): 103.68 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.000124 (Modified Grain method) MP (exp database): 102 deg C Subcooled liquid VP: 0.0007 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): 7.906e+004 log Kow used: -0.14 (expkow database) 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 : 1.76E-009 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 3.554E-010 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: -0.14 (exp database) Log Kaw used: -7.143 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 7.003 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7937 Biowin2 (Non-Linear Model) : 0.9139 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.8406 (weeks ) Biowin4 (Primary Survey Model) : 3.6042 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.1321 Biowin6 (MITI Non-Linear Model): 0.0000 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.5771 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): 0.0933 Pa (0.0007 mm Hg) Log Koa (Koawin est ): 7.003 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 3.21E-005 Octanol/air (Koa) model: 2.47E-006 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.00116 Mackay model : 0.00256 Octanol/air (Koa) model: 0.000198 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 0.4169 E-12 cm3/molecule-sec Half-Life = 25.658 Days (12-hr day; 1.5E6 OH/cm3) Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.00186 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 295.3 Log Koc: 2.470 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: -0.14 (expkow database) Volatilization from Water: Henry LC: 1.76E-009 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 4.365E+005 hours (1.819E+004 days) Half-Life from Model Lake : 4.762E+006 hours (1.984E+005 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 0.0412 616 1000 Water 38.7 360 1000 Soil 61.2 720 1000 Sediment 0.0712 3.24e+003 0 Persistence Time: 580 hr
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