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N-(2-Aminoethyl)-N-(2-hydroxyethyl)dodecanamide
CCCCCCCCCCCC(=O)N(CCN)CCO
InChI=1S/C16H34N2O2/c1-2-3-4-5-6-7-8-9-10-11-16(20)18(13-12-17)14-15-19/h19H,2-15,17H2,1H3
KOUNBXVVHJVUQL-UHFFFAOYSA-N
CSID:2285162, http://www.chemspider.com/Chemical-Structure.2285162.html (accessed 11:30, May 19, 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) = 2.47 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 417.95 (Adapted Stein & Brown method) Melting Pt (deg C): 155.37 (Mean or Weighted MP) VP(mm Hg,25 deg C): 2.55E-009 (Modified Grain method) Subcooled liquid VP: 5.48E-008 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): 113.8 log Kow used: 2.47 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1429.9 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 6.08E-015 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 8.446E-012 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.47 (KowWin est) Log Kaw used: -12.605 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 15.075 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 1.2423 Biowin2 (Non-Linear Model) : 0.9967 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.9947 (weeks ) Biowin4 (Primary Survey Model) : 4.0817 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.8732 Biowin6 (MITI Non-Linear Model): 0.8692 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.5448 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): 7.31E-006 Pa (5.48E-008 mm Hg) Log Koa (Koawin est ): 15.075 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.411 Octanol/air (Koa) model: 292 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.937 Mackay model : 0.97 Octanol/air (Koa) model: 1 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 76.8147 E-12 cm3/molecule-sec Half-Life = 0.139 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.671 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.954 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1283 Log Koc: 3.108 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 = 1.204 (BCF = 15.99) log Kow used: 2.47 (estimated) Volatilization from Water: Henry LC: 6.08E-015 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.63E+011 hours (6.791E+009 days) Half-Life from Model Lake : 1.778E+012 hours (7.408E+010 days) Removal In Wastewater Treatment: Total removal: 3.01 percent Total biodegradation: 0.10 percent Total sludge adsorption: 2.91 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 2.11e-006 3.34 1000 Water 18.8 360 1000 Soil 81 720 1000 Sediment 0.125 3.24e+003 0 Persistence Time: 751 hr
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