1,2-Dihydro-1,2,3-triazine
C1=CNNN=C1
InChI=1S/C3H5N3/c1-2-4-6-5-3-1/h1-4,6H
NTSJGNVMDZAPJE-UHFFFAOYSA-N
CSID:10609490, http://www.chemspider.com/Chemical-Structure.10609490.html (accessed 03:50, Dec 6, 2023)
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) = -1.64 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 238.03 (Adapted Stein & Brown method) Melting Pt (deg C): 55.28 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.0257 (Modified Grain method) Subcooled liquid VP: 0.0491 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): 1e+006 log Kow used: -1.64 (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: Hydrazines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 7.72E-008 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.810E-009 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: -1.64 (KowWin est) Log Kaw used: -5.501 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 3.861 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7080 Biowin2 (Non-Linear Model) : 0.8616 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.0155 (weeks ) Biowin4 (Primary Survey Model) : 3.7279 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.1168 Biowin6 (MITI Non-Linear Model): 0.0000 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.7285 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): 6.55 Pa (0.0491 mm Hg) Log Koa (Koawin est ): 3.861 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 4.58E-007 Octanol/air (Koa) model: 1.78E-009 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1.66E-005 Mackay model : 3.67E-005 Octanol/air (Koa) model: 1.43E-007 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 161.7800 E-12 cm3/molecule-sec Half-Life = 0.066 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.793 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 1.137500 E-17 cm3/molecule-sec Half-Life = 1.007 Days (at 7E11 mol/cm3) Half-Life = 24.179 Hrs Fraction sorbed to airborne particulates (phi): 2.66E-005 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 124.3 Log Koc: 2.094 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: -1.64 (estimated) Volatilization from Water: Henry LC: 7.72E-008 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 6914 hours (288.1 days) Half-Life from Model Lake : 7.55E+004 hours (3146 days) Removal In Wastewater Treatment: Total removal: 1.85 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.75 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 0.195 1.49 1000 Water 47.2 360 1000 Soil 52.5 720 1000 Sediment 0.0864 3.24e+003 0 Persistence Time: 356 hr
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