2-(Diisopropylamino)ethanol
CC(C)N(CCO)C(C)C
InChI=1S/C8H19NO/c1-7(2)9(5-6-10)8(3)4/h7-8,10H,5-6H2,1-4H3
ZYWUVGFIXPNBDL-UHFFFAOYSA-N
CSID:7039, http://www.chemspider.com/Chemical-Structure.7039.html (accessed 23:16, Apr 19, 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) = 0.88 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 195.99 (Adapted Stein & Brown method) Melting Pt (deg C): -14.59 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.134 (Mean VP of Antoine & Grain methods) MP (exp database): -39 deg C BP (exp database): 190 deg C VP (exp database): 8.00E-02 mm Hg at 20 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 1.43e+005 log Kow used: 0.88 (estimated) no-melting pt equation used Water Sol (Exper. database match) = 1.2e+004 mg/L (25 deg C) Exper. Ref: BOLLMEIER,AF (1991) Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 3.6368e+005 mg/L Wat Sol (Exper. database match) = 12000.00 Exper. Ref: BOLLMEIER,AF (1991) ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 5.51E-009 atm-m3/mole Group Method: Incomplete Exper Database: 1.27E-06 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 1.791E-007 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 0.88 (KowWin est) Log Kaw used: -4.285 (exp database) Log Koa (KOAWIN v1.10 estimate): 5.165 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6319 Biowin2 (Non-Linear Model) : 0.4604 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.7834 (weeks ) Biowin4 (Primary Survey Model) : 3.4796 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3555 Biowin6 (MITI Non-Linear Model): 0.3174 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.7040 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): 10.7 Pa (0.08 mm Hg) Log Koa (Koawin est ): 5.165 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 2.81E-007 Octanol/air (Koa) model: 3.59E-008 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1.02E-005 Mackay model : 2.25E-005 Octanol/air (Koa) model: 2.87E-006 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 117.5980 E-12 cm3/molecule-sec Half-Life = 0.091 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.091 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 1.63E-005 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 14.89 Log Koc: 1.173 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: 0.88 (estimated) Volatilization from Water: Henry LC: 1.27E-006 atm-m3/mole (Henry experimental database) Half-Life from Model River: 556.8 hours (23.2 days) Half-Life from Model Lake : 6176 hours (257.3 days) Removal In Wastewater Treatment: Total removal: 1.95 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.78 percent Total to Air: 0.07 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.316 2.18 1000 Water 45.1 360 1000 Soil 54.5 720 1000 Sediment 0.0884 3.24e+003 0 Persistence Time: 348 hr
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