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N-Benzyl-4-(trimethylsilyl)-1-butanamine
N(CCCC[Si](C)(C)C)Cc1ccccc1
InChI=1S/C14H25NSi/c1-16(2,3)12-8-7-11-15-13-14-9-5-4-6-10-14/h4-6,9-10,15H,7-8,11-13H2,1-3H3
PJJZNFZSVBDHCE-UHFFFAOYSA-N
CSID:8903807, http://www.chemspider.com/Chemical-Structure.8903807.html (accessed 05:43, Jun 1, 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) = 4.89 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 294.15 (Adapted Stein & Brown method) Melting Pt (deg C): 59.71 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.00127 (Modified Grain method) Subcooled liquid VP: 0.00266 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): 19.14 log Kow used: 4.89 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.31888 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 9.43E-006 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.056E-005 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.89 (KowWin est) Log Kaw used: -3.414 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 8.304 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.9174 Biowin2 (Non-Linear Model) : 0.9292 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.7253 (weeks-months) Biowin4 (Primary Survey Model) : 3.5562 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2293 Biowin6 (MITI Non-Linear Model): 0.0908 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.6123 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): 0.355 Pa (0.00266 mm Hg) Log Koa (Koawin est ): 8.304 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 8.46E-006 Octanol/air (Koa) model: 4.94E-005 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.000305 Mackay model : 0.000676 Octanol/air (Koa) model: 0.00394 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 91.7539 E-12 cm3/molecule-sec Half-Life = 0.117 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.399 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.000491 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 2.539E+004 Log Koc: 4.405 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 = 3.069 (BCF = 1172) log Kow used: 4.89 (estimated) Volatilization from Water: Henry LC: 9.43E-006 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 96.83 hours (4.035 days) Half-Life from Model Lake : 1185 hours (49.38 days) Removal In Wastewater Treatment: Total removal: 73.97 percent Total biodegradation: 0.65 percent Total sludge adsorption: 73.20 percent Total to Air: 0.12 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.102 2.8 1000 Water 12.3 900 1000 Soil 65.4 1.8e+003 1000 Sediment 22.2 8.1e+003 0 Persistence Time: 1.32e+003 hr
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