- Double-bond stereo
(2E,4E)-2,4-Octadienamide
CCC/C=C/C=C/C(=O)N
InChI=1S/C8H13NO/c1-2-3-4-5-6-7-8(9)10/h4-7H,2-3H2,1H3,(H2,9,10)/b5-4+,7-6+
GSHDXSRSGKTAJL-YTXTXJHMSA-N
CSID:14786443, http://www.chemspider.com/Chemical-Structure.14786443.html (accessed 09:47, Dec 4, 2023)
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) = 1.35 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 295.98 (Adapted Stein & Brown method) Melting Pt (deg C): 83.34 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.000668 (Modified Grain method) Subcooled liquid VP: 0.00242 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): 5882 log Kow used: 1.35 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 18286 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Acrylamides Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.06E-008 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.080E-008 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.35 (KowWin est) Log Kaw used: -6.075 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 7.425 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.9999 Biowin2 (Non-Linear Model) : 0.9962 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.1357 (weeks ) Biowin4 (Primary Survey Model) : 4.1214 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.5487 Biowin6 (MITI Non-Linear Model): 0.5952 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.3712 Ready Biodegradability Prediction: YES Hydrocarbon Biodegradation (BioHCwin v1.01): Structure incompatible with current estimation method! Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 0.323 Pa (0.00242 mm Hg) Log Koa (Koawin est ): 7.425 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 9.3E-006 Octanol/air (Koa) model: 6.53E-006 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.000336 Mackay model : 0.000743 Octanol/air (Koa) model: 0.000522 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 54.1649 E-12 cm3/molecule-sec Half-Life = 0.197 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 2.370 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 5.265000 E-17 cm3/molecule-sec Half-Life = 0.218 Days (at 7E11 mol/cm3) Half-Life = 5.224 Hrs Fraction sorbed to airborne particulates (phi): 0.000539 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 223.2 Log Koc: 2.349 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 = 0.343 (BCF = 2.203) log Kow used: 1.35 (estimated) Volatilization from Water: Henry LC: 2.06E-008 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 3.353E+004 hours (1397 days) Half-Life from Model Lake : 3.659E+005 hours (1.525E+004 days) Removal In Wastewater Treatment: Total removal: 1.94 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.84 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 0.183 2.49 1000 Water 36.3 360 1000 Soil 63.5 720 1000 Sediment 0.0804 3.24e+003 0 Persistence Time: 455 hr
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