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Dimethyl(tetradecyl)amine oxide
CCCCCCCCCCCCCC[N+](C)(C)[O-]
InChI=1S/C16H35NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17(2,3)18/h4-16H2,1-3H3
ONHFWHCMZAJCFB-UHFFFAOYSA-N
CSID:17695, http://www.chemspider.com/Chemical-Structure.17695.html (accessed 23:47, Apr 24, 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) = 3.36 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 500.74 (Adapted Stein & Brown method) Melting Pt (deg C): 212.94 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.78E-012 (Modified Grain method) Subcooled liquid VP: 1.77E-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): 28.52 log Kow used: 3.36 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.011528 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Surfactants-cationic Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.52E-013 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.123E-014 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.36 (KowWin est) Log Kaw used: -11.207 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 14.567 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7329 Biowin2 (Non-Linear Model) : 0.7653 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.9263 (weeks ) Biowin4 (Primary Survey Model) : 3.7439 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.5776 Biowin6 (MITI Non-Linear Model): 0.7233 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.1798 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): 2.36E-008 Pa (1.77E-010 mm Hg) Log Koa (Koawin est ): 14.567 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 127 Octanol/air (Koa) model: 90.6 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1 Mackay model : 1 Octanol/air (Koa) model: 1 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 30.0733 E-12 cm3/molecule-sec Half-Life = 0.356 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 4.268 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 1 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 6.349E+004 Log Koc: 4.803 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 = 1.850 (BCF = 70.79) log Kow used: 3.36 (estimated) Volatilization from Water: Henry LC: 1.52E-013 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 6.193E+009 hours (2.58E+008 days) Half-Life from Model Lake : 6.756E+010 hours (2.815E+009 days) Removal In Wastewater Treatment: Total removal: 10.22 percent Total biodegradation: 0.16 percent Total sludge adsorption: 10.06 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 0.0179 8.54 1000 Water 16.5 360 1000 Soil 82.9 720 1000 Sediment 0.552 3.24e+003 0 Persistence Time: 770 hr
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