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N,N-Bis(2-aminoethyl)octadecanamide
CCCCCCCCCCCCCCCCCC(=O)N(CCN)CCN
InChI=1S/C22H47N3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(26)25(20-18-23)21-19-24/h2-21,23-24H2,1H3
GXMVXAAQVWCSRQ-UHFFFAOYSA-N
CSID:2287590, http://www.chemspider.com/Chemical-Structure.2287590.html (accessed 23:22, 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) = 5.41 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 474.89 (Adapted Stein & Brown method) Melting Pt (deg C): 199.98 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.68E-009 (Modified Grain method) Subcooled liquid VP: 1.18E-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): 0.1123 log Kow used: 5.41 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 2.5601 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 9.36E-014 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 7.276E-009 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.41 (KowWin est) Log Kaw used: -11.417 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 16.827 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 1.1978 Biowin2 (Non-Linear Model) : 0.9892 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.6753 (weeks-months) Biowin4 (Primary Survey Model) : 3.8755 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.7944 Biowin6 (MITI Non-Linear Model): 0.6858 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.7453 Ready Biodegradability Prediction: NO Hydrocarbon Biodegradation (BioHCwin v1.01): Structure incompatible with current estimation method! Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 1.57E-005 Pa (1.18E-007 mm Hg) Log Koa (Koawin est ): 16.827 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.191 Octanol/air (Koa) model: 1.65E+004 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.873 Mackay model : 0.938 Octanol/air (Koa) model: 1 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 112.8161 E-12 cm3/molecule-sec Half-Life = 0.095 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.138 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.906 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.254E+006 Log Koc: 6.098 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 = 2.468 (BCF = 293.7) log Kow used: 5.41 (estimated) Volatilization from Water: Henry LC: 9.36E-014 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.203E+010 hours (5.011E+008 days) Half-Life from Model Lake : 1.312E+011 hours (5.466E+009 days) Removal In Wastewater Treatment: Total removal: 87.04 percent Total biodegradation: 0.74 percent Total sludge adsorption: 86.30 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 5.29e-006 2.28 1000 Water 5.94 900 1000 Soil 62.2 1.8e+003 1000 Sediment 31.9 8.1e+003 0 Persistence Time: 2.64e+003 hr
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