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- Double-bond stereo
(2E,4E,8E,11E)-N-Isobutyl-2,4,8,11-tetradecatetraenamide
CC/C=C/C/C=C/CC/C=C/C=C/C(=O)NCC(C)C
InChI=1S/C18H29NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-18(20)19-16-17(2)3/h5-6,8-9,12-15,17H,4,7,10-11,16H2,1-3H3,(H,19,20)/b6-5+,9-8+,13-12+,15-14+
YFRGJIVWBMOBIT-OQNBVUPXSA-N
CSID:20144108, http://www.chemspider.com/Chemical-Structure.20144108.html (accessed 04:24, Apr 26, 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) = 5.74 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 414.75 (Adapted Stein & Brown method) Melting Pt (deg C): 151.63 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.86E-007 (Modified Grain method) Subcooled liquid VP: 3.63E-006 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): 0.2146 log Kow used: 5.74 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 3.0766 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Acrylamides Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 4.47E-007 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 3.141E-007 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.74 (KowWin est) Log Kaw used: -4.738 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 10.478 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.9350 Biowin2 (Non-Linear Model) : 0.9742 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.8346 (weeks ) Biowin4 (Primary Survey Model) : 3.9248 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2665 Biowin6 (MITI Non-Linear Model): 0.0992 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.9123 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): 0.000484 Pa (3.63E-006 mm Hg) Log Koa (Koawin est ): 10.478 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.0062 Octanol/air (Koa) model: 0.00738 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.183 Mackay model : 0.331 Octanol/air (Koa) model: 0.371 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 179.7638 E-12 cm3/molecule-sec [Cis-isomer] OVERALL OH Rate Constant = 194.9638 E-12 cm3/molecule-sec [Trans-isomer] Half-Life = 0.714 Hrs (12-hr day; 1.5E6 OH/cm3) [Cis-isomer] Half-Life = 0.658 Hrs (12-hr day; 1.5E6 OH/cm3) [Trans-isomer] Ozone Reaction: OVERALL Ozone Rate Constant = 31.264999 E-17 cm3/molecule-sec [Cis-] OVERALL Ozone Rate Constant = 45.264999 E-17 cm3/molecule-sec [Trans-] Half-Life = 0.880 Hrs (at 7E11 mol/cm3) [Cis-isomer] Half-Life = 0.608 Hrs (at 7E11 mol/cm3) [Trans-isomer] Reaction With Nitrate Radicals May Be Important! Fraction sorbed to airborne particulates (phi): 0.257 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 6.707E+004 Log Koc: 4.826 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 = 3.717 (BCF = 5216) log Kow used: 5.74 (estimated) Volatilization from Water: Henry LC: 4.47E-007 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 2175 hours (90.65 days) Half-Life from Model Lake : 2.387E+004 hours (994.7 days) Removal In Wastewater Treatment: Total removal: 90.65 percent Total biodegradation: 0.76 percent Total sludge adsorption: 89.89 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 0.031 0.544 1000 Water 9.86 360 1000 Soil 42 720 1000 Sediment 48.1 3.24e+003 0 Persistence Time: 831 hr
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