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Triethyl(propadienyl)silane
C(=C\[Si](CC)(CC)CC)=C
InChI=1S/C9H18Si/c1-5-9-10(6-2,7-3)8-4/h9H,1,6-8H2,2-4H3
TZQXVIODSUJVOQ-UHFFFAOYSA-N
CSID:9519068, http://www.chemspider.com/Chemical-Structure.9519068.html (accessed 13:01, Apr 30, 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) = 4.93 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 142.29 (Adapted Stein & Brown method) Melting Pt (deg C): -49.97 (Mean or Weighted MP) VP(mm Hg,25 deg C): 5.72 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 4.472 log Kow used: 4.93 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.18609 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 5.20E-001 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.597E-001 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.93 (KowWin est) Log Kaw used: 1.328 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 3.602 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6741 Biowin2 (Non-Linear Model) : 0.6936 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.8581 (weeks ) Biowin4 (Primary Survey Model) : 3.6251 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4211 Biowin6 (MITI Non-Linear Model): 0.3782 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.4548 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): 701 Pa (5.26 mm Hg) Log Koa (Koawin est ): 3.602 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 4.28E-009 Octanol/air (Koa) model: 9.82E-010 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1.55E-007 Mackay model : 3.42E-007 Octanol/air (Koa) model: 7.85E-008 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 34.5840 E-12 cm3/molecule-sec Half-Life = 0.309 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 3.711 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 0.015000 E-17 cm3/molecule-sec Half-Life = 76.400 Days (at 7E11 mol/cm3) Fraction sorbed to airborne particulates (phi): 2.48E-007 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 587.9 Log Koc: 2.769 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 = 3.096 (BCF = 1248) log Kow used: 4.93 (estimated) Volatilization from Water: Henry LC: 0.52 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.269 hours Half-Life from Model Lake : 118 hours (4.917 days) Removal In Wastewater Treatment (recommended maximum 95%): Total removal: 99.66 percent Total biodegradation: 0.15 percent Total sludge adsorption: 46.62 percent Total to Air: 52.89 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 3.11 7.39 1000 Water 27.1 360 1000 Soil 43.1 720 1000 Sediment 26.7 3.24e+003 0 Persistence Time: 222 hr
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