Try beta.chemspider
6-Tetradecyl-1,3,5-triazine-2,4-diamine
n1c(nc(nc1CCCCCCCCCCCCCC)N)N
InChI=1S/C17H33N5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-16(18)22-17(19)21-15/h2-14H2,1H3,(H4,18,19,20,21,22)
HXPZJNPIMRZESM-UHFFFAOYSA-N
CSID:8718177, http://www.chemspider.com/Chemical-Structure.8718177.html (accessed 06:46, May 25, 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) = 6.61 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 450.41 (Adapted Stein & Brown method) Melting Pt (deg C): 189.43 (Mean or Weighted MP) VP(mm Hg,25 deg C): 9.1E-009 (Modified Grain method) Subcooled liquid VP: 4.8E-007 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): 0.02513 log Kow used: 6.61 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.0036802 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Anilines (amino-meta) Triazines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.35E-008 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.465E-007 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 6.61 (KowWin est) Log Kaw used: -6.017 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 12.627 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.3063 Biowin2 (Non-Linear Model) : 0.0002 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.2274 (months ) Biowin4 (Primary Survey Model) : 3.3304 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.1365 Biowin6 (MITI Non-Linear Model): 0.0000 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.0050 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): 6.4E-005 Pa (4.8E-007 mm Hg) Log Koa (Koawin est ): 12.627 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.0469 Octanol/air (Koa) model: 1.04 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.629 Mackay model : 0.789 Octanol/air (Koa) model: 0.988 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 18.4990 E-12 cm3/molecule-sec Half-Life = 0.578 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 6.938 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.709 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 6.224E+004 Log Koc: 4.794 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 = 2.570 (BCF = 371.4) log Kow used: 6.61 (estimated) Volatilization from Water: Henry LC: 2.35E-008 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 4.369E+004 hours (1820 days) Half-Life from Model Lake : 4.768E+005 hours (1.987E+004 days) Removal In Wastewater Treatment: Total removal: 93.57 percent Total biodegradation: 0.78 percent Total sludge adsorption: 92.79 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 0.0577 13.9 1000 Water 1.65 1.44e+003 1000 Soil 38.6 2.88e+003 1000 Sediment 59.7 1.3e+004 0 Persistence Time: 5.11e+003 hr
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