- Double-bond stereo
N-Methyl-N'-[(1E)-pentylidene]formic hydrazide
O=CN(/N=C/CCCC)C
InChI=1S/C7H14N2O/c1-3-4-5-6-8-9(2)7-10/h6-7H,3-5H2,1-2H3/b8-6+
IHTUGUQGWPOOJG-SOFGYWHQSA-N
CSID:7845101, http://www.chemspider.com/Chemical-Structure.7845101.html (accessed 22:44, Mar 28, 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) = 0.90 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 231.26 (Adapted Stein & Brown method) Melting Pt (deg C): 22.53 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.0732 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 1.397e+004 log Kow used: 0.90 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 39015 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Hydrazines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.79E-007 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 9.804E-007 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 0.90 (KowWin est) Log Kaw used: -4.943 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 5.843 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7883 Biowin2 (Non-Linear Model) : 0.9444 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.1833 (weeks ) Biowin4 (Primary Survey Model) : 3.9116 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3875 Biowin6 (MITI Non-Linear Model): 0.4129 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.2713 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): 9.23 Pa (0.0692 mm Hg) Log Koa (Koawin est ): 5.843 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 3.25E-007 Octanol/air (Koa) model: 1.71E-007 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1.17E-005 Mackay model : 2.6E-005 Octanol/air (Koa) model: 1.37E-005 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 22.7932 E-12 cm3/molecule-sec Half-Life = 0.469 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 5.631 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 1.89E-005 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 71.75 Log Koc: 1.856 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Rate constants can NOT be estimated for this structure! Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 0.500 (BCF = 3.162) log Kow used: 0.90 (estimated) Volatilization from Water: Henry LC: 2.79E-007 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 2504 hours (104.3 days) Half-Life from Model Lake : 2.741E+004 hours (1142 days) Removal In Wastewater Treatment: Total removal: 1.89 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.79 percent Total to Air: 0.02 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 1.15 11.3 1000 Water 42.9 360 1000 Soil 55.8 720 1000 Sediment 0.0844 3.24e+003 0 Persistence Time: 382 hr
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