Try beta.chemspider
Diethoxy(ethyl)silane
CCO[SiH](CC)OCC
InChI=1S/C6H16O2Si/c1-4-7-9(6-3)8-5-2/h9H,4-6H2,1-3H3
YDZXUMQBSRQXIN-UHFFFAOYSA-N
CSID:11232547, http://www.chemspider.com/Chemical-Structure.11232547.html (accessed 08:04, Aug 7, 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) = 1.51 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 145.06 (Adapted Stein & Brown method) Melting Pt (deg C): -62.39 (Mean or Weighted MP) VP(mm Hg,25 deg C): 5.04 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 3956 log Kow used: 1.51 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 2.481e+005 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Silanes (alkoxy) Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.01E-003 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.486E-004 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.51 (KowWin est) Log Kaw used: -1.085 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 2.595 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6770 Biowin2 (Non-Linear Model) : 0.7116 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.8715 (weeks ) Biowin4 (Primary Survey Model) : 3.6338 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4205 Biowin6 (MITI Non-Linear Model): 0.3993 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.6753 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): 616 Pa (4.62 mm Hg) Log Koa (Koawin est ): 2.595 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 4.87E-009 Octanol/air (Koa) model: 9.66E-011 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1.76E-007 Mackay model : 3.9E-007 Octanol/air (Koa) model: 7.73E-009 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 13.5415 E-12 cm3/molecule-sec Half-Life = 0.790 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 9.478 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 2.83E-007 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 859.8 Log Koc: 2.934 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 = 0.463 (BCF = 2.907) log Kow used: 1.51 (estimated) Volatilization from Water: Henry LC: 0.00201 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.597 hours Half-Life from Model Lake : 119.5 hours (4.98 days) Removal In Wastewater Treatment: Total removal: 45.66 percent Total biodegradation: 0.06 percent Total sludge adsorption: 1.19 percent Total to Air: 44.42 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 15.7 19 1000 Water 62.3 360 1000 Soil 21.8 720 1000 Sediment 0.149 3.24e+003 0 Persistence Time: 107 hr
Click to predict properties on the Chemicalize site
Advertisement
Spotlight