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- Double-bond stereo
N'-[(E)-4-Pyridinylmethylene]-2-pyridinecarbohydrazonamide
N(\N=C(\c1ncccc1)N)=C/c2ccncc2
InChI=1S/C12H11N5/c13-12(11-3-1-2-6-15-11)17-16-9-10-4-7-14-8-5-10/h1-9H,(H2,13,17)/b16-9+
ZCWPBEKVQFYWPX-CXUHLZMHSA-N
CSID:7849550, http://www.chemspider.com/Chemical-Structure.7849550.html (accessed 18:17, 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) = 1.30 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 365.92 (Adapted Stein & Brown method) Melting Pt (deg C): 127.99 (Mean or Weighted MP) VP(mm Hg,25 deg C): 5.16E-006 (Modified Grain method) Subcooled liquid VP: 5.51E-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): 5.027e+004 log Kow used: 1.30 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 13998 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Hydrazines Benzyl Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 6.79E-015 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 3.042E-011 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.30 (KowWin est) Log Kaw used: -12.557 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 13.857 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.3312 Biowin2 (Non-Linear Model) : 0.0303 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.2730 (weeks-months) Biowin4 (Primary Survey Model) : 3.4853 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.0310 Biowin6 (MITI Non-Linear Model): 0.0248 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 1.3879 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): 0.00735 Pa (5.51E-005 mm Hg) Log Koa (Koawin est ): 13.857 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.000408 Octanol/air (Koa) model: 17.7 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.0145 Mackay model : 0.0316 Octanol/air (Koa) model: 0.999 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 24.6330 E-12 cm3/molecule-sec Half-Life = 0.434 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 5.211 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.0231 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 8.8E+004 Log Koc: 4.945 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 = 0.299 (BCF = 1.989) log Kow used: 1.30 (estimated) Volatilization from Water: Henry LC: 6.79E-015 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.294E+011 hours (5.392E+009 days) Half-Life from Model Lake : 1.412E+012 hours (5.882E+010 days) Removal In Wastewater Treatment: Total removal: 1.93 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.83 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 8.38e-008 10.4 1000 Water 36.5 900 1000 Soil 63.4 1.8e+003 1000 Sediment 0.084 8.1e+003 0 Persistence Time: 1.12e+003 hr
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