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- Double-bond stereo
(E)-1,2-Diazenediylbis(methylene) diacetate
CC(=O)OC/N=N/COC(=O)C
InChI=1S/C6H10N2O4/c1-5(9)11-3-7-8-4-12-6(2)10/h3-4H2,1-2H3/b8-7+
PTCJTFARHUBUJI-BQYQJAHWSA-N
CSID:4940967, http://www.chemspider.com/Chemical-Structure.4940967.html (accessed 02:54, 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) = 0.76 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 182.03 (Adapted Stein & Brown method) Melting Pt (deg C): -84.25 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.875 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 4886 log Kow used: 0.76 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 45705 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Esters Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 5.25E-007 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 4.104E-005 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 0.76 (KowWin est) Log Kaw used: -4.668 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 5.428 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7712 Biowin2 (Non-Linear Model) : 0.6166 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.7944 (weeks ) Biowin4 (Primary Survey Model) : 4.0016 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.9353 Biowin6 (MITI Non-Linear Model): 0.0007 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 1.0726 Ready Biodegradability Prediction: YES Hydrocarbon Biodegradation (BioHCwin v1.01): Structure incompatible with current estimation method! Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 106 Pa (0.795 mm Hg) Log Koa (Koawin est ): 5.428 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 2.83E-008 Octanol/air (Koa) model: 6.58E-008 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1.02E-006 Mackay model : 2.26E-006 Octanol/air (Koa) model: 5.26E-006 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 3.0731 E-12 cm3/molecule-sec Half-Life = 3.480 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 41.766 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 1.64E-006 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 10 Log Koc: 1.000 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 1.775E+000 L/mol-sec Kb Half-Life at pH 8: 4.519 days Kb Half-Life at pH 7: 45.191 days Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 0.500 (BCF = 3.162) log Kow used: 0.76 (estimated) Volatilization from Water: Henry LC: 5.25E-007 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1473 hours (61.38 days) Half-Life from Model Lake : 1.618E+004 hours (674.2 days) Removal In Wastewater Treatment: Total removal: 1.90 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.78 percent Total to Air: 0.03 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 3.7 83.5 1000 Water 41.8 360 1000 Soil 54.4 720 1000 Sediment 0.0806 3.24e+003 0 Persistence Time: 413 hr
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