Try beta.chemspider
N,N-Diethyl-1,2-ethanediamine
CCN(CC)CCN
InChI=1S/C6H16N2/c1-3-8(4-2)6-5-7/h3-7H2,1-2H3
UDGSVBYJWHOHNN-UHFFFAOYSA-N
CSID:54954, http://www.chemspider.com/Chemical-Structure.54954.html (accessed 07:40, Apr 23, 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) = 0.04 Log Kow (Exper. database match) = 0.21 Exper. Ref: Hansch,C et al. (1995) Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 156.46 (Adapted Stein & Brown method) Melting Pt (deg C): -11.18 (Mean or Weighted MP) VP(mm Hg,25 deg C): 5.29 (Mean VP of Antoine & Grain methods) BP (exp database): 144 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 6.981e+005 log Kow used: 0.21 (expkow database) 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 : 8.79E-009 atm-m3/mole Group Method: 4.55E-009 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 1.159E-006 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 0.21 (exp database) Log Kaw used: -6.444 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 6.654 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6408 Biowin2 (Non-Linear Model) : 0.5611 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.7120 (weeks-months) Biowin4 (Primary Survey Model) : 3.4354 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.5134 Biowin6 (MITI Non-Linear Model): 0.4510 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.1167 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): 647 Pa (4.85 mm Hg) Log Koa (Koawin est ): 6.654 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 4.64E-009 Octanol/air (Koa) model: 1.11E-006 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1.68E-007 Mackay model : 3.71E-007 Octanol/air (Koa) model: 8.85E-005 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 126.0750 E-12 cm3/molecule-sec Half-Life = 0.085 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.018 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 2.69E-007 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 148.5 Log Koc: 2.172 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: 0.21 (expkow database) Volatilization from Water: Henry LC: 4.55E-009 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 1.387E+005 hours (5780 days) Half-Life from Model Lake : 1.513E+006 hours (6.306E+004 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 0.0457 2.04 1000 Water 47.5 900 1000 Soil 52.4 1.8e+003 1000 Sediment 0.0925 8.1e+003 0 Persistence Time: 832 hr
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