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4-sec-Butylbenzenesulfonohydrazide
CCC(C)c1ccc(cc1)S(=O)(=O)NN
InChI=1S/C10H16N2O2S/c1-3-8(2)9-4-6-10(7-5-9)15(13,14)12-11/h4-8,12H,3,11H2,1-2H3
UDBATFUGGFUTDH-UHFFFAOYSA-N
CSID:12559446, http://www.chemspider.com/Chemical-Structure.12559446.html (accessed 00:36, Jul 5, 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) = 1.95 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 360.58 (Adapted Stein & Brown method) Melting Pt (deg C): 132.45 (Mean or Weighted MP) VP(mm Hg,25 deg C): 6.19E-006 (Modified Grain method) Subcooled liquid VP: 7.4E-005 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): 666.1 log Kow used: 1.95 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 23838 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Hydrazines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 4.55E-009 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.792E-009 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.95 (KowWin est) Log Kaw used: -6.730 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 8.680 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6935 Biowin2 (Non-Linear Model) : 0.5851 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.6198 (weeks-months) Biowin4 (Primary Survey Model) : 3.4498 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.2667 Biowin6 (MITI Non-Linear Model): 0.0000 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.2398 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): 0.00987 Pa (7.4E-005 mm Hg) Log Koa (Koawin est ): 8.680 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.000304 Octanol/air (Koa) model: 0.000117 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.0109 Mackay model : 0.0237 Octanol/air (Koa) model: 0.00931 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 4.8586 E-12 cm3/molecule-sec Half-Life = 2.201 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 26.418 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.0173 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 2818 Log Koc: 3.450 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 = 0.805 (BCF = 6.379) log Kow used: 1.95 (estimated) Volatilization from Water: Henry LC: 4.55E-009 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.944E+005 hours (8101 days) Half-Life from Model Lake : 2.121E+006 hours (8.838E+004 days) Removal In Wastewater Treatment: Total removal: 2.20 percent Total biodegradation: 0.10 percent Total sludge adsorption: 2.11 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 0.044 52.8 1000 Water 24.1 900 1000 Soil 75.7 1.8e+003 1000 Sediment 0.088 8.1e+003 0 Persistence Time: 1.37e+003 hr
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