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N-(5-Hydroxy-4-decanyl)dodecanamide
O=C(NC(C(O)CCCCC)CCC)CCCCCCCCCCC
InChI=1S/C22H45NO2/c1-4-7-9-10-11-12-13-14-16-19-22(25)23-20(17-6-3)21(24)18-15-8-5-2/h20-21,24H,4-19H2,1-3H3,(H,23,25)
BLGWAUWBIULBBL-UHFFFAOYSA-N
CSID:8445096, http://www.chemspider.com/Chemical-Structure.8445096.html (accessed 00:49, Apr 25, 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) = 7.02 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 479.58 (Adapted Stein & Brown method) Melting Pt (deg C): 194.91 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.28E-011 (Modified Grain method) Subcooled liquid VP: 7.81E-010 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): 0.005762 log Kow used: 7.02 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.048012 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.96E-010 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.039E-009 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 7.02 (KowWin est) Log Kaw used: -8.096 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 15.116 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 1.1640 Biowin2 (Non-Linear Model) : 0.9957 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.1158 (weeks ) Biowin4 (Primary Survey Model) : 4.2077 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.6325 Biowin6 (MITI Non-Linear Model): 0.7069 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.3891 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): 1.04E-007 Pa (7.81E-010 mm Hg) Log Koa (Koawin est ): 15.116 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 28.8 Octanol/air (Koa) model: 321 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.999 Mackay model : 1 Octanol/air (Koa) model: 1 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 52.7800 E-12 cm3/molecule-sec Half-Life = 0.203 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 2.432 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.999 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 4.26E+004 Log Koc: 4.629 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 = 3.279 (BCF = 1899) log Kow used: 7.02 (estimated) Volatilization from Water: Henry LC: 1.96E-010 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 5.633E+006 hours (2.347E+005 days) Half-Life from Model Lake : 6.145E+007 hours (2.56E+006 days) Removal In Wastewater Treatment: Total removal: 93.85 percent Total biodegradation: 0.78 percent Total sludge adsorption: 93.08 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 0.137 4.86 1000 Water 4.01 360 1000 Soil 32 720 1000 Sediment 63.8 3.24e+003 0 Persistence Time: 1.28e+003 hr
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