2-(Diethylamino)ethanol
CCN(CC)CCO
InChI=1S/C6H15NO/c1-3-7(4-2)5-6-8/h8H,3-6H2,1-2H3
BFSVOASYOCHEOV-UHFFFAOYSA-N
CSID:13842001, http://www.chemspider.com/Chemical-Structure.13842001.html (accessed 11:29, Nov 30, 2023)
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) = 0.05 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 179.75 (Adapted Stein & Brown method) Melting Pt (deg C): -15.60 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.648 (Mean VP of Antoine & Grain methods) BP (exp database): 163 deg C VP (exp database): 1.40E+00 mm Hg at 25 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 9.539e+005 log Kow used: 0.05 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1e+006 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.12E-009 atm-m3/mole Group Method: 2.56E-009 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 1.047E-007 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 0.05 (KowWin est) Log Kaw used: -6.894 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 6.944 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6452 Biowin2 (Non-Linear Model) : 0.5596 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.8454 (weeks ) Biowin4 (Primary Survey Model) : 3.5201 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.6383 Biowin6 (MITI Non-Linear Model): 0.7434 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.1612 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): 187 Pa (1.4 mm Hg) Log Koa (Koawin est ): 6.944 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.61E-008 Octanol/air (Koa) model: 2.16E-006 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 5.8E-007 Mackay model : 1.29E-006 Octanol/air (Koa) model: 0.000173 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 98.5519 E-12 cm3/molecule-sec Half-Life = 0.109 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.302 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 9.33E-007 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 5.979 Log Koc: 0.777 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: 0.05 (estimated) Volatilization from Water: Henry LC: 2.56E-009 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 2.476E+005 hours (1.032E+004 days) Half-Life from Model Lake : 2.701E+006 hours (1.125E+005 days) Removal In Wastewater Treatment: Total removal: 1.85 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.76 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 0.0511 2.6 1000 Water 39.7 360 1000 Soil 60.2 720 1000 Sediment 0.0733 3.24e+003 0 Persistence Time: 532 hr
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