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N-Allyl-2-pentylundecanamide
CCCCCCCCCC(CCCCC)C(=O)NCC=C
InChI=1S/C19H37NO/c1-4-7-9-10-11-12-14-16-18(15-13-8-5-2)19(21)20-17-6-3/h6,18H,3-5,7-17H2,1-2H3,(H,20,21)
WPRQHXCNUOUDLF-UHFFFAOYSA-N
CSID:4352257, http://www.chemspider.com/Chemical-Structure.4352257.html (accessed 07:02, Jun 13, 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) = 6.95 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 411.19 (Adapted Stein & Brown method) Melting Pt (deg C): 151.75 (Mean or Weighted MP) VP(mm Hg,25 deg C): 2.27E-007 (Modified Grain method) Subcooled liquid VP: 4.44E-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): 0.01509 log Kow used: 6.95 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.041408 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.70E-006 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 5.849E-006 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 6.95 (KowWin est) Log Kaw used: -4.158 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 11.108 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 1.0339 Biowin2 (Non-Linear Model) : 0.9945 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.0886 (weeks ) Biowin4 (Primary Survey Model) : 4.1650 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.5707 Biowin6 (MITI Non-Linear Model): 0.6198 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.5749 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): 0.000592 Pa (4.44E-006 mm Hg) Log Koa (Koawin est ): 11.108 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.00507 Octanol/air (Koa) model: 0.0315 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.155 Mackay model : 0.288 Octanol/air (Koa) model: 0.716 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 60.7281 E-12 cm3/molecule-sec Half-Life = 0.176 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 2.114 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 1.200000 E-17 cm3/molecule-sec Half-Life = 0.955 Days (at 7E11 mol/cm3) Half-Life = 22.920 Hrs Fraction sorbed to airborne particulates (phi): 0.222 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.386E+005 Log Koc: 5.142 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 = 3.153 (BCF = 1421) log Kow used: 6.95 (estimated) Volatilization from Water: Henry LC: 1.7E-006 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 593.8 hours (24.74 days) Half-Life from Model Lake : 6622 hours (275.9 days) Removal In Wastewater Treatment: Total removal: 93.82 percent Total biodegradation: 0.78 percent Total sludge adsorption: 93.04 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 0.131 3.57 1000 Water 4.24 360 1000 Soil 29.6 720 1000 Sediment 66 3.24e+003 0 Persistence Time: 1.2e+003 hr
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