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N-Undecylundecanamide
CCCCCCCCCCCNC(=O)CCCCCCCCCC
InChI=1S/C22H45NO/c1-3-5-7-9-11-13-15-17-19-21-23-22(24)20-18-16-14-12-10-8-6-4-2/h3-21H2,1-2H3,(H,23,24)
GQHRNMBQZYGJAX-UHFFFAOYSA-N
CSID:531583, http://www.chemspider.com/Chemical-Structure.531583.html (accessed 06:54, 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) = 8.63 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 453.86 (Adapted Stein & Brown method) Melting Pt (deg C): 176.73 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.05E-008 (Modified Grain method) Subcooled liquid VP: 3.94E-007 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): 0.0003024 log Kow used: 8.63 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.00067201 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 5.35E-006 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.552E-005 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 8.63 (KowWin est) Log Kaw used: -3.660 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 12.290 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 1.0129 Biowin2 (Non-Linear Model) : 0.9897 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.9911 (weeks ) Biowin4 (Primary Survey Model) : 4.1013 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.7682 Biowin6 (MITI Non-Linear Model): 0.8590 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.0326 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): 5.25E-005 Pa (3.94E-007 mm Hg) Log Koa (Koawin est ): 12.290 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.0571 Octanol/air (Koa) model: 0.479 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.673 Mackay model : 0.82 Octanol/air (Koa) model: 0.975 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 37.9670 E-12 cm3/molecule-sec Half-Life = 0.282 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 3.381 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.747 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 9.259E+005 Log Koc: 5.967 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 = 1.070 (BCF = 11.76) log Kow used: 8.63 (estimated) Volatilization from Water: Henry LC: 5.35E-006 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 203.6 hours (8.481 days) Half-Life from Model Lake : 2375 hours (98.96 days) Removal In Wastewater Treatment: Total removal: 94.03 percent Total biodegradation: 0.78 percent Total sludge adsorption: 93.25 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 0.19 6.76 1000 Water 3.62 360 1000 Soil 30.4 720 1000 Sediment 65.8 3.24e+003 0 Persistence Time: 1.31e+003 hr
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