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- Double-bond stereo
N''-[(1Z)-1-(2,5-Dichlorophenyl)ethylidene]carbonohydrazonic diamide
C/C(=N/N=C(N)N)/c1cc(ccc1Cl)Cl
InChI=1S/C9H10Cl2N4/c1-5(14-15-9(12)13)7-4-6(10)2-3-8(7)11/h2-4H,1H3,(H4,12,13,15)/b14-5-
ZGWNJXOXUVIFCA-RZNTYIFUSA-N
CSID:4697803, http://www.chemspider.com/Chemical-Structure.4697803.html (accessed 23:18, Jul 7, 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) = 2.94 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 347.48 (Adapted Stein & Brown method) Melting Pt (deg C): 113.77 (Mean or Weighted MP) VP(mm Hg,25 deg C): 2.02E-005 (Modified Grain method) Subcooled liquid VP: 0.000151 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): 77.31 log Kow used: 2.94 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 3484.9 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Hydrazines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.68E-012 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 8.427E-008 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.94 (KowWin est) Log Kaw used: -9.823 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 12.763 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.2660 Biowin2 (Non-Linear Model) : 0.0110 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.2443 (months ) Biowin4 (Primary Survey Model) : 3.1634 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.0203 Biowin6 (MITI Non-Linear Model): 0.0099 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.3343 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): 0.0201 Pa (0.000151 mm Hg) Log Koa (Koawin est ): 12.763 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.000149 Octanol/air (Koa) model: 1.42 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.00535 Mackay model : 0.0118 Octanol/air (Koa) model: 0.991 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 43.0496 E-12 cm3/molecule-sec Half-Life = 0.248 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 2.981 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.00857 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.255E+004 Log Koc: 4.099 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 = 1.566 (BCF = 36.78) log Kow used: 2.94 (estimated) Volatilization from Water: Henry LC: 3.68E-012 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 2.491E+008 hours (1.038E+007 days) Half-Life from Model Lake : 2.717E+009 hours (1.132E+008 days) Removal In Wastewater Treatment: Total removal: 5.21 percent Total biodegradation: 0.12 percent Total sludge adsorption: 5.09 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 1.9e-005 5.96 1000 Water 11 1.44e+003 1000 Soil 88.7 2.88e+003 1000 Sediment 0.24 1.3e+004 0 Persistence Time: 2.65e+003 hr
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