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N,N-Dimethyl-5-(triethylsilyl)-2,4-pentadiyn-1-amine
CC[Si](CC)(CC)C#CC#CCN(C)C
InChI=1S/C13H23NSi/c1-6-15(7-2,8-3)13-11-9-10-12-14(4)5/h6-8,12H2,1-5H3
XLVTZPDFKHKVFG-UHFFFAOYSA-N
CSID:10005658, http://www.chemspider.com/Chemical-Structure.10005658.html (accessed 04:45, 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) = 4.46 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 267.25 (Adapted Stein & Brown method) Melting Pt (deg C): 85.70 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.00286 (Modified Grain method) Subcooled liquid VP: 0.0109 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): 53.01 log Kow used: 4.46 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1.3995 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Propargyl Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.46E-005 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.572E-005 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.46 (KowWin est) Log Kaw used: -2.998 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 7.458 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.4369 Biowin2 (Non-Linear Model) : 0.0864 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.4551 (weeks-months) Biowin4 (Primary Survey Model) : 3.2403 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.1683 Biowin6 (MITI Non-Linear Model): 0.0526 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.5327 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): 1.45 Pa (0.0109 mm Hg) Log Koa (Koawin est ): 7.458 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 2.06E-006 Octanol/air (Koa) model: 7.05E-006 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 7.46E-005 Mackay model : 0.000165 Octanol/air (Koa) model: 0.000563 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 150.9998 E-12 cm3/molecule-sec Half-Life = 0.071 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.850 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 0.006000 E-17 cm3/molecule-sec Half-Life = 191.000 Days (at 7E11 mol/cm3) Fraction sorbed to airborne particulates (phi): 0.00012 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.06E+004 Log Koc: 4.025 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 = 2.738 (BCF = 546.9) log Kow used: 4.46 (estimated) Volatilization from Water: Henry LC: 2.46E-005 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 36.93 hours (1.539 days) Half-Life from Model Lake : 527.7 hours (21.99 days) Removal In Wastewater Treatment: Total removal: 54.29 percent Total biodegradation: 0.50 percent Total sludge adsorption: 53.21 percent Total to Air: 0.58 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.0778 1.7 1000 Water 14.2 900 1000 Soil 75.9 1.8e+003 1000 Sediment 9.75 8.1e+003 0 Persistence Time: 1.14e+003 hr
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