Try beta.chemspider
1,3,5-Trimethylborazine
B1N(BN(BN1C)C)C
InChI=1S/C3H12B3N3/c1-7-4-8(2)6-9(3)5-7/h4-6H,1-3H3
SIJDQNVSAGQBND-UHFFFAOYSA-N
CSID:193696, http://www.chemspider.com/Chemical-Structure.193696.html (accessed 08:43, Jun 5, 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) = -2.78 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 62.63 (Adapted Stein & Brown method) Melting Pt (deg C): -6.05 (Mean or Weighted MP) VP(mm Hg,25 deg C): 177 (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: -2.78 (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: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : Incomplete Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.855E-005 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Can Not Estimate (can not calculate HenryLC) Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.3213 Biowin2 (Non-Linear Model) : 0.1017 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.5040 (weeks-months) Biowin4 (Primary Survey Model) : 3.3640 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4831 Biowin6 (MITI Non-Linear Model): 0.4512 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.0881 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): 2.32E+004 Pa (174 mm Hg) Log Koa (): not available Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.29E-010 Octanol/air (Koa) model: not available Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 4.67E-009 Mackay model : 1.03E-008 Octanol/air (Koa) model: not available Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 1.2648 E-12 cm3/molecule-sec Half-Life = 8.457 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 101.480 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 7.51E-009 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 298.1 Log Koc: 2.474 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: -2.78 (estimated) Volatilization from Water: Henry LC: 2.85E-005 atm-m3/mole (calculated from VP/WS) Half-Life from Model River: 23.84 hours Half-Life from Model Lake : 352.9 hours (14.7 days) Removal In Wastewater Treatment: Total removal: 3.37 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.73 percent Total to Air: 1.54 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 7.56 203 1000 Water 52.4 900 1000 Soil 39.9 1.8e+003 1000 Sediment 0.101 8.1e+003 0 Persistence Time: 477 hr
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