- Double-bond stereo
(2E,2'E)-2,2'-[(1E,2E)-1,2-Ethanediylidene]bis[N'-(3-aminopropyl)hydrazinecarboximidamide]
N(=C/C=N/NC(=N/CCCN)/N)\N/C(=N/CCCN)N
InChI=1S/C10H24N10/c11-3-1-5-15-9(13)19-17-7-8-18-20-10(14)16-6-2-4-12/h7-8H,1-6,11-12H2,(H3,13,15,19)(H3,14,16,20)/b17-7+,18-8+
LDNCWSAHVWXJNF-ZEELXFFVSA-N
CSID:7851308, http://www.chemspider.com/Chemical-Structure.7851308.html (accessed 13:47, 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) = -2.81 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 445.67 (Adapted Stein & Brown method) Melting Pt (deg C): 183.17 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.41E-008 (Modified Grain method) Subcooled liquid VP: 6.29E-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): 1e+006 log Kow used: -2.81 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1e+006 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 : 1.12E-026 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 5.276E-015 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: -2.81 (KowWin est) Log Kaw used: -24.339 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 21.529 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.9198 Biowin2 (Non-Linear Model) : 0.7668 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.6196 (weeks-months) Biowin4 (Primary Survey Model) : 3.5240 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.1279 Biowin6 (MITI Non-Linear Model): 0.0203 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 1.0149 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): 8.39E-005 Pa (6.29E-007 mm Hg) Log Koa (Koawin est ): 21.529 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.0358 Octanol/air (Koa) model: 8.3E+008 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.564 Mackay model : 0.741 Octanol/air (Koa) model: 1 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 241.2642 E-12 cm3/molecule-sec Half-Life = 0.044 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.532 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.652 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.089E+005 Log Koc: 5.037 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 = 0.500 (BCF = 3.162) log Kow used: -2.81 (estimated) Volatilization from Water: Henry LC: 1.12E-026 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 8.815E+022 hours (3.673E+021 days) Half-Life from Model Lake : 9.617E+023 hours (4.007E+022 days) Removal In Wastewater Treatment: Total removal: 1.85 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.75 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 4.31e-019 1.06 1000 Water 46.5 900 1000 Soil 53.5 1.8e+003 1000 Sediment 0.0892 8.1e+003 0 Persistence Time: 973 hr
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