Try beta.chemspider
Ethyl 2-[(butyrylamino)acetyl]hydrazinecarboxylate
CCCC(=O)NCC(=O)NNC(=O)OCC
InChI=1S/C9H17N3O4/c1-3-5-7(13)10-6-8(14)11-12-9(15)16-4-2/h3-6H2,1-2H3,(H,10,13)(H,11,14)(H,12,15)
AMGFCFDMCAALNL-UHFFFAOYSA-N
CSID:2790715, http://www.chemspider.com/Chemical-Structure.2790715.html (accessed 01:02, Apr 24, 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) = -0.29 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 447.12 (Adapted Stein & Brown method) Melting Pt (deg C): 187.90 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.14E-008 (Modified Grain method) Subcooled liquid VP: 5.79E-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): 2578 log Kow used: -0.29 (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: Hydrazines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.32E-014 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.346E-012 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: -0.29 (KowWin est) Log Kaw used: -12.268 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 11.978 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8476 Biowin2 (Non-Linear Model) : 0.9181 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.6339 (weeks-months) Biowin4 (Primary Survey Model) : 3.7195 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.0237 Biowin6 (MITI Non-Linear Model): 0.0000 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.2130 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): 7.72E-005 Pa (5.79E-007 mm Hg) Log Koa (Koawin est ): 11.978 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.0389 Octanol/air (Koa) model: 0.233 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.584 Mackay model : 0.757 Octanol/air (Koa) model: 0.949 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 25.8940 E-12 cm3/molecule-sec Half-Life = 0.413 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 4.957 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.67 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 77.76 Log Koc: 1.891 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 8.179E-003 L/mol-sec Kb Half-Life at pH 8: 2.685 years Kb Half-Life at pH 7: 26.853 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 0.500 (BCF = 3.162) log Kow used: -0.29 (estimated) Volatilization from Water: Henry LC: 1.32E-014 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 6.745E+010 hours (2.81E+009 days) Half-Life from Model Lake : 7.358E+011 hours (3.066E+010 days) Removal In Wastewater Treatment: Total removal: 1.85 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.76 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 5.41e-007 9.91 1000 Water 46.1 900 1000 Soil 53.8 1.8e+003 1000 Sediment 0.0889 8.1e+003 0 Persistence Time: 977 hr
Click to predict properties on the Chemicalize site
Advertisement
Spotlight