N,N-Dimethyl-1,2,3-trithian-5-amine
CN(C)C1CSSSC1
InChI=1S/C5H11NS3/c1-6(2)5-3-7-9-8-4-5/h5H,3-4H2,1-2H3
DNVLJEWNNDHELH-UHFFFAOYSA-N
CSID:33084, http://www.chemspider.com/Chemical-Structure.33084.html (accessed 18:49, 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) = 1.38 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 255.27 (Adapted Stein & Brown method) Melting Pt (deg C): 62.83 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.00899 (Modified Grain method) Subcooled liquid VP: 0.0203 mm Hg (25 deg C, Mod-Grain method) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 3.63e+004 log Kow used: 1.38 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 26113 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 5.44E-007 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 5.909E-008 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.38 (KowWin est) Log Kaw used: -4.653 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 6.033 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.4560 Biowin2 (Non-Linear Model) : 0.1432 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.5437 (weeks-months) Biowin4 (Primary Survey Model) : 3.2981 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.1406 Biowin6 (MITI Non-Linear Model): 0.0405 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.5985 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): 2.71 Pa (0.0203 mm Hg) Log Koa (Koawin est ): 6.033 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.11E-006 Octanol/air (Koa) model: 2.65E-007 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 4E-005 Mackay model : 8.87E-005 Octanol/air (Koa) model: 2.12E-005 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 563.7469 E-12 cm3/molecule-sec Half-Life = 0.019 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 13.661 Min Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 6.43E-005 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 346.5 Log Koc: 2.540 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 = 0.366 (BCF = 2.323) log Kow used: 1.38 (estimated) Volatilization from Water: Henry LC: 5.44E-007 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1451 hours (60.44 days) Half-Life from Model Lake : 1.594E+004 hours (664.1 days) Removal In Wastewater Treatment: Total removal: 1.97 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.85 percent Total to Air: 0.03 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.0374 0.455 1000 Water 44.1 900 1000 Soil 55.8 1.8e+003 1000 Sediment 0.105 8.1e+003 0 Persistence Time: 638 hr
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