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N'-Cyclooctylidene-4-methylbenzenesulfonohydrazide
Cc1ccc(cc1)S(=O)(=O)NN=C2CCCCCCC2
InChI=1S/C15H22N2O2S/c1-13-9-11-15(12-10-13)20(18,19)17-16-14-7-5-3-2-4-6-8-14/h9-12,17H,2-8H2,1H3
XZZUWPBPPGAHOB-UHFFFAOYSA-N
CSID:240023, http://www.chemspider.com/Chemical-Structure.240023.html (accessed 13:33, May 21, 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) = 5.25 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 420.25 (Adapted Stein & Brown method) Melting Pt (deg C): 159.97 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.1E-007 (Modified Grain method) Subcooled liquid VP: 2.66E-006 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): 0.4388 log Kow used: 5.25 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 3.4787 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.99E-006 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 9.711E-008 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.25 (KowWin est) Log Kaw used: -3.787 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 9.037 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6621 Biowin2 (Non-Linear Model) : 0.3555 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.4737 (weeks-months) Biowin4 (Primary Survey Model) : 3.3544 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.0487 Biowin6 (MITI Non-Linear Model): 0.0285 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.7575 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): 0.000355 Pa (2.66E-006 mm Hg) Log Koa (Koawin est ): 9.037 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.00846 Octanol/air (Koa) model: 0.000267 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.234 Mackay model : 0.404 Octanol/air (Koa) model: 0.0209 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 11.1156 E-12 cm3/molecule-sec Half-Life = 0.962 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 11.547 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.319 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 6.544E+004 Log Koc: 4.816 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 = 3.339 (BCF = 2182) log Kow used: 5.25 (estimated) Volatilization from Water: Henry LC: 3.99E-006 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 253.5 hours (10.56 days) Half-Life from Model Lake : 2910 hours (121.2 days) Removal In Wastewater Treatment: Total removal: 84.20 percent Total biodegradation: 0.72 percent Total sludge adsorption: 83.46 percent Total to Air: 0.02 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.391 23.1 1000 Water 8.73 900 1000 Soil 56.9 1.8e+003 1000 Sediment 33.9 8.1e+003 0 Persistence Time: 1.77e+003 hr
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