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- Double-bond stereo
N''-[(E)-Cyano(2,3-dichlorophenyl)methylene]carbonohydrazonic diamide
c1cc(c(c(c1)Cl)Cl)/C(=N\N=C(N)N)/C#N
InChI=1S/C9H7Cl2N5/c10-6-3-1-2-5(8(6)11)7(4-12)15-16-9(13)14/h1-3H,(H4,13,14,16)/b15-7-
BXDSJOGMJUKSAE-CHHVJCJISA-N
CSID:5006948, http://www.chemspider.com/Chemical-Structure.5006948.html (accessed 23:33, Apr 25, 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) = 2.45 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 394.04 (Adapted Stein & Brown method) Melting Pt (deg C): 144.27 (Mean or Weighted MP) VP(mm Hg,25 deg C): 7.18E-007 (Modified Grain method) Subcooled liquid VP: 1.16E-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): 176.5 log Kow used: 2.45 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 14471 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Hydrazines Allylic/Vinyl Nitriles Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 7.60E-012 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.371E-009 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.45 (KowWin est) Log Kaw used: -9.508 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 11.958 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.5678 Biowin2 (Non-Linear Model) : 0.4963 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.1377 (months ) Biowin4 (Primary Survey Model) : 3.0824 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.0589 Biowin6 (MITI Non-Linear Model): 0.0089 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.2548 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): 0.00155 Pa (1.16E-005 mm Hg) Log Koa (Koawin est ): 11.958 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.00194 Octanol/air (Koa) model: 0.223 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.0655 Mackay model : 0.134 Octanol/air (Koa) model: 0.947 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 42.8823 E-12 cm3/molecule-sec Half-Life = 0.249 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 2.993 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.0999 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 4692 Log Koc: 3.671 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 = 1.187 (BCF = 15.4) log Kow used: 2.45 (estimated) Volatilization from Water: Henry LC: 7.6E-012 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.233E+008 hours (5.137E+006 days) Half-Life from Model Lake : 1.345E+009 hours (5.604E+007 days) Removal In Wastewater Treatment: Total removal: 2.96 percent Total biodegradation: 0.10 percent Total sludge adsorption: 2.86 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 4.83e-005 5.99 1000 Water 15.3 1.44e+003 1000 Soil 84.6 2.88e+003 1000 Sediment 0.119 1.3e+004 0 Persistence Time: 2.32e+003 hr
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