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N~2~,N~2~,2-Trimethyl-1,2-propanediamine
CC(C)(CN)N(C)C
InChI=1S/C6H16N2/c1-6(2,5-7)8(3)4/h5,7H2,1-4H3
PKZCRWFNSBIBEW-UHFFFAOYSA-N
CSID:7450349, http://www.chemspider.com/Chemical-Structure.7450349.html (accessed 02:36, May 27, 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) = -0.07 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 134.22 (Adapted Stein & Brown method) Melting Pt (deg C): -16.46 (Mean or Weighted MP) VP(mm Hg,25 deg C): 8.27 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 1e+006 log Kow used: -0.07 (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 : 8.79E-009 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.265E-006 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: -0.07 (KowWin est) Log Kaw used: -6.444 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 6.374 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.4569 Biowin2 (Non-Linear Model) : 0.1858 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.4999 (weeks-months) Biowin4 (Primary Survey Model) : 3.2819 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4336 Biowin6 (MITI Non-Linear Model): 0.2598 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.6880 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): 1.02E+003 Pa (7.63 mm Hg) Log Koa (Koawin est ): 6.374 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 2.95E-009 Octanol/air (Koa) model: 5.81E-007 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1.07E-007 Mackay model : 2.36E-007 Octanol/air (Koa) model: 4.65E-005 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 100.5482 E-12 cm3/molecule-sec Half-Life = 0.106 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.277 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 1.71E-007 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 97.7 Log Koc: 1.990 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: -0.07 (estimated) Volatilization from Water: Henry LC: 8.79E-009 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 7.18E+004 hours (2992 days) Half-Life from Model Lake : 7.834E+005 hours (3.264E+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 0.0778 2.55 1000 Water 48.7 900 1000 Soil 51.1 1.8e+003 1000 Sediment 0.0943 8.1e+003 0 Persistence Time: 782 hr
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