N,N-Diethylethanamine
CCN(CC)CC
InChI=1S/C6H15N/c1-4-7(5-2)6-3/h4-6H2,1-3H3
ZMANZCXQSJIPKH-UHFFFAOYSA-N
CSID:8158, http://www.chemspider.com/Chemical-Structure.8158.html (accessed 01:29, Apr 18, 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) = 1.51 Log Kow (Exper. database match) = 1.45 Exper. Ref: Hansch,C et al. (1995) Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 95.48 (Adapted Stein & Brown method) Melting Pt (deg C): -70.61 (Mean or Weighted MP) VP(mm Hg,25 deg C): 59.8 (Mean VP of Antoine & Grain methods) MP (exp database): -114.7 deg C BP (exp database): 89 deg C VP (exp database): 5.71E+01 mm Hg at 25 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 6.826e+004 log Kow used: 1.45 (expkow database) no-melting pt equation used Water Sol (Exper. database match) = 7.37e+004 mg/L (25 deg C) Exper. Ref: YALKOWSKY,SH & DANNENFELSER,RM (1992) Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 44037 mg/L Wat Sol (Exper. database match) = 73700.00 Exper. Ref: YALKOWSKY,SH & DANNENFELSER,RM (1992) ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 8.54E-005 atm-m3/mole Group Method: 2.23E-004 atm-m3/mole Exper Database: 1.49E-04 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 1.166E-004 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.45 (exp database) Log Kaw used: -2.215 (exp database) Log Koa (KOAWIN v1.10 estimate): 3.665 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.4941 Biowin2 (Non-Linear Model) : 0.3427 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.7207 (weeks-months) Biowin4 (Primary Survey Model) : 3.4137 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4757 Biowin6 (MITI Non-Linear Model): 0.5278 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.3995 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): 7.61E+003 Pa (57.1 mm Hg) Log Koa (Koawin est ): 3.665 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 3.94E-010 Octanol/air (Koa) model: 1.14E-009 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1.42E-008 Mackay model : 3.15E-008 Octanol/air (Koa) model: 9.08E-008 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 92.5604 E-12 cm3/molecule-sec Half-Life = 0.116 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.387 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 2.29E-008 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 107.2 Log Koc: 2.030 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 = 0.417 (BCF = 2.609) log Kow used: 1.45 (expkow database) Volatilization from Water: Henry LC: 0.000149 atm-m3/mole (Henry experimental database) Half-Life from Model River: 4.979 hours Half-Life from Model Lake : 138.7 hours (5.778 days) Removal In Wastewater Treatment: Total removal: 8.74 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.76 percent Total to Air: 6.89 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.795 2.77 1000 Water 46.4 900 1000 Soil 52.7 1.8e+003 1000 Sediment 0.114 8.1e+003 0 Persistence Time: 324 hr
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