- Double-bond stereo
(2E,4E)-N-Isobutyl-2,4-decadienamide
CCCCC/C=C/C=C/C(=O)NCC(C)C
InChI=1S/C14H25NO/c1-4-5-6-7-8-9-10-11-14(16)15-12-13(2)3/h8-11,13H,4-7,12H2,1-3H3,(H,15,16)/b9-8+,11-10+
MAGQQZHFHJDIRE-BNFZFUHLSA-N
CSID:4477066, http://www.chemspider.com/Chemical-Structure.4477066.html (accessed 10:17, 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) = 4.20 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 361.19 (Adapted Stein & Brown method) Melting Pt (deg C): 119.14 (Mean or Weighted MP) VP(mm Hg,25 deg C): 8.34E-006 (Modified Grain method) Subcooled liquid VP: 7.15E-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): 8.513 log Kow used: 4.20 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 71.692 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Acrylamides Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.86E-007 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.879E-007 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.20 (KowWin est) Log Kaw used: -5.119 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 9.319 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.9598 Biowin2 (Non-Linear Model) : 0.9875 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.9497 (weeks ) Biowin4 (Primary Survey Model) : 4.0000 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3967 Biowin6 (MITI Non-Linear Model): 0.3065 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.6182 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): 0.00953 Pa (7.15E-005 mm Hg) Log Koa (Koawin est ): 9.319 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.000315 Octanol/air (Koa) model: 0.000512 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.0112 Mackay model : 0.0246 Octanol/air (Koa) model: 0.0393 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 67.9219 E-12 cm3/molecule-sec Half-Life = 0.157 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.890 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): 0.0179 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 5796 Log Koc: 3.763 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 = 2.536 (BCF = 343.4) log Kow used: 4.20 (estimated) Volatilization from Water: Henry LC: 1.86E-007 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 4706 hours (196.1 days) Half-Life from Model Lake : 5.146E+004 hours (2144 days) Removal In Wastewater Treatment: Total removal: 39.94 percent Total biodegradation: 0.40 percent Total sludge adsorption: 39.54 percent Total to Air: 0.01 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.198 2.19 1000 Water 22.8 360 1000 Soil 72.5 720 1000 Sediment 4.5 3.24e+003 0 Persistence Time: 495 hr
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