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- Double-bond stereo
N'-[(1E)-1-(2-Thienyl)ethylidene]-2-thiophenecarbohydrazide
O=C(N\N=C(\c1sccc1)C)c2sccc2
InChI=1S/C11H10N2OS2/c1-8(9-4-2-6-15-9)12-13-11(14)10-5-3-7-16-10/h2-7H,1H3,(H,13,14)/b12-8+
NZECVLMIUBMJSK-XYOKQWHBSA-N
CSID:4827899, http://www.chemspider.com/Chemical-Structure.4827899.html (accessed 22:07, Apr 24, 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) = 3.58 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 426.76 (Adapted Stein & Brown method) Melting Pt (deg C): 178.39 (Mean or Weighted MP) VP(mm Hg,25 deg C): 4.69E-008 (Modified Grain method) Subcooled liquid VP: 1.84E-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): 20.65 log Kow used: 3.58 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 93.806 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Hydrazines Thiophenes Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.87E-010 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 7.481E-010 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.58 (KowWin est) Log Kaw used: -8.117 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 11.697 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6284 Biowin2 (Non-Linear Model) : 0.3668 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.6460 (weeks-months) Biowin4 (Primary Survey Model) : 3.4866 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.0171 Biowin6 (MITI Non-Linear Model): 0.0187 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.1839 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): 0.000245 Pa (1.84E-006 mm Hg) Log Koa (Koawin est ): 11.697 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.0122 Octanol/air (Koa) model: 0.122 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.306 Mackay model : 0.495 Octanol/air (Koa) model: 0.907 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 35.3506 E-12 cm3/molecule-sec Half-Life = 0.303 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 3.631 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.4 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 3592 Log Koc: 3.555 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 = 2.056 (BCF = 113.9) log Kow used: 3.58 (estimated) Volatilization from Water: Henry LC: 1.87E-010 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 4.954E+006 hours (2.064E+005 days) Half-Life from Model Lake : 5.404E+007 hours (2.252E+006 days) Removal In Wastewater Treatment: Total removal: 14.98 percent Total biodegradation: 0.20 percent Total sludge adsorption: 14.78 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 0.00217 7.26 1000 Water 11.5 900 1000 Soil 87.5 1.8e+003 1000 Sediment 1.01 8.1e+003 0 Persistence Time: 1.84e+003 hr
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