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N,N-Dibutyl-2-hydroxypropanamide
CCCCN(CCCC)C(=O)C(C)O
InChI=1S/C11H23NO2/c1-4-6-8-12(9-7-5-2)11(14)10(3)13/h10,13H,4-9H2,1-3H3
ZXORIQDKFRZFHV-UHFFFAOYSA-N
CSID:194550, http://www.chemspider.com/Chemical-Structure.194550.html (accessed 04:26, Apr 24, 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) = 1.41 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 316.00 (Adapted Stein & Brown method) Melting Pt (deg C): 85.80 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.26E-005 (Modified Grain method) Subcooled liquid VP: 4.81E-005 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): 2669 log Kow used: 1.41 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 14507 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 6.11E-008 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.250E-009 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.41 (KowWin est) Log Kaw used: -5.602 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 7.012 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 1.2374 Biowin2 (Non-Linear Model) : 0.9995 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.4567 (days-weeks ) Biowin4 (Primary Survey Model) : 4.4303 (hours-days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.6481 Biowin6 (MITI Non-Linear Model): 0.7576 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.4831 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): 0.00641 Pa (4.81E-005 mm Hg) Log Koa (Koawin est ): 7.012 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.000468 Octanol/air (Koa) model: 2.52E-006 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.0166 Mackay model : 0.0361 Octanol/air (Koa) model: 0.000202 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 35.6415 E-12 cm3/molecule-sec Half-Life = 0.300 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 3.601 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.0263 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 37.12 Log Koc: 1.570 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 = 0.389 (BCF = 2.45) log Kow used: 1.41 (estimated) Volatilization from Water: Henry LC: 6.11E-008 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.36E+004 hours (566.6 days) Half-Life from Model Lake : 1.485E+005 hours (6186 days) Removal In Wastewater Treatment: Total removal: 1.95 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.86 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 0.78 7.2 1000 Water 33.6 208 1000 Soil 65.5 416 1000 Sediment 0.0715 1.87e+003 0 Persistence Time: 296 hr
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