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1-(Dibutylamino)-2-propanol
CCCCN(CCCC)CC(C)O
InChI=1S/C11H25NO/c1-4-6-8-12(9-7-5-2)10-11(3)13/h11,13H,4-10H2,1-3H3
ICMJHPBQTVWCNT-UHFFFAOYSA-N
CSID:259857, http://www.chemspider.com/Chemical-Structure.259857.html (accessed 17:36, May 16, 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) = 2.43 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 257.03 (Adapted Stein & Brown method) Melting Pt (deg C): 27.64 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.00194 (Modified Grain method) Subcooled liquid VP: 0.00204 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): 4349 log Kow used: 2.43 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 6853.5 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.29E-008 atm-m3/mole Group Method: 2.39E-008 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 1.100E-007 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.43 (KowWin est) Log Kaw used: -6.278 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 8.708 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8287 Biowin2 (Non-Linear Model) : 0.9494 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.2870 (days-weeks ) Biowin4 (Primary Survey Model) : 3.9571 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.5276 Biowin6 (MITI Non-Linear Model): 0.5615 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.9641 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): 0.272 Pa (0.00204 mm Hg) Log Koa (Koawin est ): 8.708 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.1E-005 Octanol/air (Koa) model: 0.000125 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.000398 Mackay model : 0.000882 Octanol/air (Koa) model: 0.00993 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 112.1693 E-12 cm3/molecule-sec Half-Life = 0.095 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.144 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.00064 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 107 Log Koc: 2.029 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 = 1.170 (BCF = 14.8) log Kow used: 2.43 (estimated) Volatilization from Water: Henry LC: 2.39E-008 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 3.353E+004 hours (1397 days) Half-Life from Model Lake : 3.659E+005 hours (1.525E+004 days) Removal In Wastewater Treatment: Total removal: 2.91 percent Total biodegradation: 0.10 percent Total sludge adsorption: 2.81 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 0.252 2.29 1000 Water 26.3 208 1000 Soil 73.3 416 1000 Sediment 0.14 1.87e+003 0 Persistence Time: 318 hr
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