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- Double-bond stereo
4,5-Dimethyl-N'-[(E)-3-thienylmethylene]-3-thiophenecarbohydrazide
Cc1c(scc1C(=O)N/N=C/c2ccsc2)C
InChI=1S/C12H12N2OS2/c1-8-9(2)17-7-11(8)12(15)14-13-5-10-3-4-16-6-10/h3-7H,1-2H3,(H,14,15)/b13-5+
SEFLPDGXFQMXCS-WLRTZDKTSA-N
CSID:5267805, http://www.chemspider.com/Chemical-Structure.5267805.html (accessed 15:05, May 2, 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
No predicted properties have been calculated for this compound.
Predicted data is generated using the US Environmental Protection Agency�s EPISuite
Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = 3.52 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 441.53 (Adapted Stein & Brown method) Melting Pt (deg C): 185.28 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.69E-008 (Modified Grain method) Subcooled liquid VP: 7.97E-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): 19.53 log Kow used: 3.52 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 61.599 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Hydrazines Thiophenes Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.72E-010 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 3.010E-010 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.52 (KowWin est) Log Kaw used: -8.153 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 11.673 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7310 Biowin2 (Non-Linear Model) : 0.6008 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.4653 (weeks-months) Biowin4 (Primary Survey Model) : 3.3293 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.0317 Biowin6 (MITI Non-Linear Model): 0.0230 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.2561 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): 0.000106 Pa (7.97E-007 mm Hg) Log Koa (Koawin est ): 11.673 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.0282 Octanol/air (Koa) model: 0.116 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.505 Mackay model : 0.693 Octanol/air (Koa) model: 0.902 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 36.3579 E-12 cm3/molecule-sec Half-Life = 0.294 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 3.530 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.599 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 5939 Log Koc: 3.774 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 = 2.007 (BCF = 101.7) log Kow used: 3.52 (estimated) Volatilization from Water: Henry LC: 1.72E-010 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 5.535E+006 hours (2.306E+005 days) Half-Life from Model Lake : 6.038E+007 hours (2.516E+006 days) Removal In Wastewater Treatment: Total removal: 13.49 percent Total biodegradation: 0.19 percent Total sludge adsorption: 13.31 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 0.003 7.06 1000 Water 11.6 900 1000 Soil 87.5 1.8e+003 1000 Sediment 0.884 8.1e+003 0 Persistence Time: 1.83e+003 hr
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