N-Methyl-1-dodecanamine
CCCCCCCCCCCCNC
InChI=1S/C13H29N/c1-3-4-5-6-7-8-9-10-11-12-13-14-2/h14H,3-13H2,1-2H3
OMEMQVZNTDHENJ-UHFFFAOYSA-N
CSID:73762, http://www.chemspider.com/Chemical-Structure.73762.html (accessed 05:50, Apr 18, 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) = 5.23 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 258.37 (Adapted Stein & Brown method) Melting Pt (deg C): 26.49 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.0168 (Modified Grain method) Subcooled liquid VP: 0.0173 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): 15.35 log Kow used: 5.23 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 13.641 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.75E-004 atm-m3/mole Group Method: 6.89E-004 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 2.871E-004 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.23 (KowWin est) Log Kaw used: -1.814 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 7.044 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.9149 Biowin2 (Non-Linear Model) : 0.9582 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.0813 (weeks ) Biowin4 (Primary Survey Model) : 3.8724 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.6967 Biowin6 (MITI Non-Linear Model): 0.7770 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.8224 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): 2.31 Pa (0.0173 mm Hg) Log Koa (Koawin est ): 7.044 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.3E-006 Octanol/air (Koa) model: 2.72E-006 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 4.7E-005 Mackay model : 0.000104 Octanol/air (Koa) model: 0.000217 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 88.9824 E-12 cm3/molecule-sec Half-Life = 0.120 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.442 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 7.55E-005 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.126E+004 Log Koc: 4.051 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 = 2.327 (BCF = 212.2) log Kow used: 5.23 (estimated) Volatilization from Water: Henry LC: 0.000689 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 2.641 hours Half-Life from Model Lake : 147.2 hours (6.134 days) Removal In Wastewater Treatment: Total removal: 84.77 percent Total biodegradation: 0.68 percent Total sludge adsorption: 81.09 percent Total to Air: 2.99 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.33 2.88 1000 Water 12.4 360 1000 Soil 64.3 720 1000 Sediment 23 3.24e+003 0 Persistence Time: 537 hr
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