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- Double-bond stereo
2-Methyl-2-propanyl (2E)-2-(2-pyridinylmethylene)hydrazinecarboxylate
CC(C)(C)OC(=O)N/N=C/C1=CC=CC=N1
InChI=1S/C11H15N3O2/c1-11(2,3)16-10(15)14-13-8-9-6-4-5-7-12-9/h4-8H,1-3H3,(H,14,15)/b13-8+
GAPXJWZSCZWVIR-MDWZMJQESA-N
CSID:7901715, http://www.chemspider.com/Chemical-Structure.7901715.html (accessed 17:34, May 16, 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) = 1.71 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 311.48 (Adapted Stein & Brown method) Melting Pt (deg C): 89.94 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.000251 (Modified Grain method) Subcooled liquid VP: 0.00106 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): 2.359e+004 log Kow used: 1.71 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 41820 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Hydrazines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.62E-011 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 3.098E-009 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.71 (KowWin est) Log Kaw used: -8.970 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 10.680 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.3037 Biowin2 (Non-Linear Model) : 0.0295 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.2839 (weeks-months) Biowin4 (Primary Survey Model) : 3.3563 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.1124 Biowin6 (MITI Non-Linear Model): 0.0422 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.5556 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): 0.141 Pa (0.00106 mm Hg) Log Koa (Koawin est ): 10.680 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 2.12E-005 Octanol/air (Koa) model: 0.0117 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.000766 Mackay model : 0.0017 Octanol/air (Koa) model: 0.485 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 6.0196 E-12 cm3/molecule-sec Half-Life = 1.777 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 21.322 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.00123 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 3729 Log Koc: 3.572 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 2.683E-005 L/mol-sec Kb Half-Life at pH 8: 818.450 years Kb Half-Life at pH 7: 8184.498 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 0.614 (BCF = 4.112) log Kow used: 1.71 (estimated) Volatilization from Water: Henry LC: 2.62E-011 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 3.324E+007 hours (1.385E+006 days) Half-Life from Model Lake : 3.626E+008 hours (1.511E+007 days) Removal In Wastewater Treatment: Total removal: 2.05 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.96 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 0.00028 42.6 1000 Water 28.7 900 1000 Soil 71.2 1.8e+003 1000 Sediment 0.0835 8.1e+003 0 Persistence Time: 1.28e+003 hr
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