Try beta.chemspider
Ethyl {2-[({[(2-methyl-2-propanyl)oxy]carbonyl}amino)acetyl]hydrazino}(oxo)acetate
O=C(OC(C)(C)C)NCC(=O)NNC(=O)C(=O)OCC
InChI=1S/C11H19N3O6/c1-5-19-9(17)8(16)14-13-7(15)6-12-10(18)20-11(2,3)4/h5-6H2,1-4H3,(H,12,18)(H,13,15)(H,14,16)
PGIKBOLVFJGYFL-UHFFFAOYSA-N
CSID:8283742, http://www.chemspider.com/Chemical-Structure.8283742.html (accessed 01:46, May 13, 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) = -1.56 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 468.13 (Adapted Stein & Brown method) Melting Pt (deg C): 197.71 (Mean or Weighted MP) VP(mm Hg,25 deg C): 2.63E-009 (Modified Grain method) Subcooled liquid VP: 1.74E-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): 1.482e+004 log Kow used: -1.56 (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: Esters Hydrazines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.47E-016 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 6.755E-014 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: -1.56 (KowWin est) Log Kaw used: -13.996 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 12.436 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6796 Biowin2 (Non-Linear Model) : 0.9061 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.4413 (weeks-months) Biowin4 (Primary Survey Model) : 3.6995 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.0531 Biowin6 (MITI Non-Linear Model): 0.0000 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.4074 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): 2.32E-005 Pa (1.74E-007 mm Hg) Log Koa (Koawin est ): 12.436 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.129 Octanol/air (Koa) model: 0.67 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.824 Mackay model : 0.912 Octanol/air (Koa) model: 0.982 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 21.1173 E-12 cm3/molecule-sec Half-Life = 0.507 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 6.078 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.868 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 13.49 Log Koc: 1.130 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 2.545E-005 L/mol-sec Kb Half-Life at pH 8: 862.963 years Kb Half-Life at pH 7: 8629.627 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 0.500 (BCF = 3.162) log Kow used: -1.56 (estimated) Volatilization from Water: Henry LC: 2.47E-016 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 4.032E+012 hours (1.68E+011 days) Half-Life from Model Lake : 4.398E+013 hours (1.833E+012 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 2.67e-008 12.2 1000 Water 46.4 900 1000 Soil 53.5 1.8e+003 1000 Sediment 0.0891 8.1e+003 0 Persistence Time: 973 hr
Click to predict properties on the Chemicalize site
Advertisement
Spotlight