N,N,N',N'-Tetramethyl-1,2-ethanediamine
CN(C)CCN(C)C
InChI=1S/C6H16N2/c1-7(2)5-6-8(3)4/h5-6H2,1-4H3
KWYHDKDOAIKMQN-UHFFFAOYSA-N
CSID:7746, http://www.chemspider.com/Chemical-Structure.7746.html (accessed 16:30, 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) = -0.26 Log Kow (Exper. database match) = 0.30 Exper. Ref: Hansch,C et al. (1995) Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 118.57 (Adapted Stein & Brown method) Melting Pt (deg C): -47.64 (Mean or Weighted MP) VP(mm Hg,25 deg C): 15 (Mean VP of Antoine & Grain methods) MP (exp database): -55 deg C BP (exp database): 121 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 5.848e+005 log Kow used: 0.30 (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 : 2.40E-008 atm-m3/mole Group Method: 5.60E-008 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 3.922E-006 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 0.30 (exp database) Log Kaw used: -6.008 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 6.308 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.2817 Biowin2 (Non-Linear Model) : 0.0436 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.4328 (weeks-months) Biowin4 (Primary Survey Model) : 3.1041 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2972 Biowin6 (MITI Non-Linear Model): 0.1720 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.5799 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): 1.87E+003 Pa (14 mm Hg) Log Koa (Koawin est ): 6.308 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.61E-009 Octanol/air (Koa) model: 4.99E-007 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 5.8E-008 Mackay model : 1.29E-007 Octanol/air (Koa) model: 3.99E-005 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 158.4273 E-12 cm3/molecule-sec Half-Life = 0.068 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.810 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 9.33E-008 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 64.02 Log Koc: 1.806 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: 0.30 (expkow database) Volatilization from Water: Henry LC: 5.6E-008 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 1.127E+004 hours (469.7 days) Half-Life from Model Lake : 1.231E+005 hours (5127 days) Removal In Wastewater Treatment: Total removal: 1.86 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 0.121 1.62 1000 Water 52.2 900 1000 Soil 47.6 1.8e+003 1000 Sediment 0.102 8.1e+003 0 Persistence Time: 611 hr
Click to predict properties on the Chemicalize site
Advertisement
Spotlight