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6-(2-{[(2-Methyl-2-propanyl)oxy]carbonyl}hydrazino)nicotinic acid
CC(C)(C)OC(=O)NNc1ccc(cn1)C(=O)O
InChI=1S/C11H15N3O4/c1-11(2,3)18-10(17)14-13-8-5-4-7(6-12-8)9(15)16/h4-6H,1-3H3,(H,12,13)(H,14,17)(H,15,16)
DBNGJNCAXKNLLQ-UHFFFAOYSA-N
CSID:9486295, http://www.chemspider.com/Chemical-Structure.9486295.html (accessed 10:09, Apr 30, 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) = 2.09 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 390.35 (Adapted Stein & Brown method) Melting Pt (deg C): 161.38 (Mean or Weighted MP) VP(mm Hg,25 deg C): 5.67E-007 (Modified Grain method) Subcooled liquid VP: 1.42E-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): 375.6 log Kow used: 2.09 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 21492 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Hydrazines-acid Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 5.62E-018 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 5.030E-010 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.09 (KowWin est) Log Kaw used: -15.639 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 17.729 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.4653 Biowin2 (Non-Linear Model) : 0.1785 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.3011 (weeks-months) Biowin4 (Primary Survey Model) : 3.3179 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.0227 Biowin6 (MITI Non-Linear Model): 0.0000 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.8835 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): 0.00189 Pa (1.42E-005 mm Hg) Log Koa (Koawin est ): 17.729 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.00158 Octanol/air (Koa) model: 1.32E+005 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.0541 Mackay model : 0.113 Octanol/air (Koa) model: 1 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 6.7191 E-12 cm3/molecule-sec Half-Life = 1.592 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 19.103 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.0833 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 29.59 Log Koc: 1.471 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 6.756E-008 L/mol-sec Kb Half-Life at pH 8: 3.251E+005 years Kb Half-Life at pH 7: 3.251E+006 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 0.500 (BCF = 3.162) log Kow used: 2.09 (estimated) Volatilization from Water: Henry LC: 5.62E-018 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.658E+014 hours (6.908E+012 days) Half-Life from Model Lake : 1.809E+015 hours (7.536E+013 days) Removal In Wastewater Treatment: Total removal: 2.34 percent Total biodegradation: 0.10 percent Total sludge adsorption: 2.24 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 5.6e-011 38.2 1000 Water 21.5 900 1000 Soil 78.4 1.8e+003 1000 Sediment 0.0925 8.1e+003 0 Persistence Time: 1.47e+003 hr
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