5-(Dipentylamino)-5-oxopentanoic acid
CCCCCN(CCCCC)C(=O)CCCC(=O)O
InChI=1S/C15H29NO3/c1-3-5-7-12-16(13-8-6-4-2)14(17)10-9-11-15(18)19/h3-13H2,1-2H3,(H,18,19)
VWOZTYAWDCUDEH-UHFFFAOYSA-N
CSID:3569917, http://www.chemspider.com/Chemical-Structure.3569917.html (accessed 04:52, Mar 29, 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) = 3.68 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 402.96 (Adapted Stein & Brown method) Melting Pt (deg C): 149.42 (Mean or Weighted MP) VP(mm Hg,25 deg C): 3.82E-007 (Modified Grain method) Subcooled liquid VP: 7.04E-006 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): 12.91 log Kow used: 3.68 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 108.53 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Surfactants-anionic-acid Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 6.82E-012 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.057E-008 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.68 (KowWin est) Log Kaw used: -9.555 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 13.235 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 1.1180 Biowin2 (Non-Linear Model) : 0.9979 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.5065 (days-weeks ) Biowin4 (Primary Survey Model) : 4.5853 (hours-days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.7569 Biowin6 (MITI Non-Linear Model): 0.8137 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.0537 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): 0.000939 Pa (7.04E-006 mm Hg) Log Koa (Koawin est ): 13.235 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.0032 Octanol/air (Koa) model: 4.22 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.103 Mackay model : 0.204 Octanol/air (Koa) model: 0.997 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 39.4283 E-12 cm3/molecule-sec Half-Life = 0.271 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 3.255 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.154 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 455 Log Koc: 2.658 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 = 0.500 (BCF = 3.162) log Kow used: 3.68 (estimated) Volatilization from Water: Henry LC: 6.82E-012 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.414E+008 hours (5.893E+006 days) Half-Life from Model Lake : 1.543E+009 hours (6.429E+007 days) Removal In Wastewater Treatment: Total removal: 17.82 percent Total biodegradation: 0.22 percent Total sludge adsorption: 17.59 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 0.000227 6.51 1000 Water 18.1 208 1000 Soil 81.1 416 1000 Sediment 0.773 1.87e+003 0 Persistence Time: 467 hr
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