- Double-bond stereo
4,4'-(1,2-Ethanediylbis{[(1E)-2-methyl-2-hydrazinyl-1-ylidene](E)methylylidene})bis(N,N-dimethylaniline)
CN(c1ccc(cc1)/C=N/N(CCN(/N=C/c2ccc(cc2)N(C)C)C)C)C
InChI=1S/C22H32N6/c1-25(2)21-11-7-19(8-12-21)17-23-27(5)15-16-28(6)24-18-20-9-13-22(14-10-20)26(3)4/h7-14,17-18H,15-16H2,1-6H3/b23-17+,24-18+
AXMSBPGDLMGFGN-GJHDBBOXSA-N
CSID:4497369, http://www.chemspider.com/Chemical-Structure.4497369.html (accessed 21:57, Mar 28, 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) = 3.25 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 465.37 (Adapted Stein & Brown method) Melting Pt (deg C): 179.90 (Mean or Weighted MP) VP(mm Hg,25 deg C): 4.98E-009 (Modified Grain method) Subcooled liquid VP: 2.04E-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): 6.834 log Kow used: 3.25 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 404.33 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Hydrazines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 5.88E-014 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 3.649E-010 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.25 (KowWin est) Log Kaw used: -11.619 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 14.869 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.1559 Biowin2 (Non-Linear Model) : 0.0011 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.8486 (months ) Biowin4 (Primary Survey Model) : 2.7227 (weeks-months) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.4421 Biowin6 (MITI Non-Linear Model): 0.0005 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -2.4363 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): 2.72E-005 Pa (2.04E-007 mm Hg) Log Koa (Koawin est ): 14.869 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.11 Octanol/air (Koa) model: 182 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.799 Mackay model : 0.898 Octanol/air (Koa) model: 1 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 232.8369 E-12 cm3/molecule-sec Half-Life = 0.046 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.551 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.849 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 8.896E+005 Log Koc: 5.949 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 = 1.799 (BCF = 62.92) log Kow used: 3.25 (estimated) Volatilization from Water: Henry LC: 5.88E-014 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.942E+010 hours (8.093E+008 days) Half-Life from Model Lake : 2.119E+011 hours (8.829E+009 days) Removal In Wastewater Treatment: Total removal: 8.47 percent Total biodegradation: 0.15 percent Total sludge adsorption: 8.33 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 1.83e-006 1.1 1000 Water 9.77 1.44e+003 1000 Soil 89.8 2.88e+003 1000 Sediment 0.449 1.3e+004 0 Persistence Time: 2.77e+003 hr
Click to predict properties on the Chemicalize site
Advertisement
Spotlight