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- Double-bond stereo
(1E)-1,3-Butadien-1-yl(triethyl)silane
C(=C/[Si](CC)(CC)CC)\C=C
InChI=1S/C10H20Si/c1-5-9-10-11(6-2,7-3)8-4/h5,9-10H,1,6-8H2,2-4H3/b10-9+
RMXIKODHTRQHLX-MDZDMXLPSA-N
CSID:9301798, http://www.chemspider.com/Chemical-Structure.9301798.html (accessed 17:06, Apr 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) = 5.31 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 169.09 (Adapted Stein & Brown method) Melting Pt (deg C): -42.30 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.63 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 1.814 log Kow used: 5.31 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.087678 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 6.57E-001 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.991E-001 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.31 (KowWin est) Log Kaw used: 1.429 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 3.881 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6674 Biowin2 (Non-Linear Model) : 0.6498 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.8271 (weeks ) Biowin4 (Primary Survey Model) : 3.6048 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3917 Biowin6 (MITI Non-Linear Model): 0.3004 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.3077 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): 197 Pa (1.48 mm Hg) Log Koa (Koawin est ): 3.881 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.52E-008 Octanol/air (Koa) model: 1.87E-009 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 5.49E-007 Mackay model : 1.22E-006 Octanol/air (Koa) model: 1.49E-007 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 108.5840 E-12 cm3/molecule-sec Half-Life = 0.099 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.182 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 0.810000 E-17 cm3/molecule-sec Half-Life = 1.415 Days (at 7E11 mol/cm3) Half-Life = 33.956 Hrs Fraction sorbed to airborne particulates (phi): 8.83E-007 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 2577 Log Koc: 3.411 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 = 3.392 (BCF = 2464) log Kow used: 5.31 (estimated) Volatilization from Water: Henry LC: 0.657 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.325 hours Half-Life from Model Lake : 123.3 hours (5.136 days) Removal In Wastewater Treatment (recommended maximum 95%): Total removal: 99.70 percent Total biodegradation: 0.17 percent Total sludge adsorption: 53.96 percent Total to Air: 45.57 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.605 2.21 1000 Water 17.6 360 1000 Soil 43.3 720 1000 Sediment 38.5 3.24e+003 0 Persistence Time: 336 hr
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