Try beta.chemspider
(Trimethylsilyl)methanethiol
C[Si](C)(C)CS
InChI=1S/C4H12SSi/c1-6(2,3)4-5/h5H,4H2,1-3H3
IIYTXTQVIDHSSL-UHFFFAOYSA-N
CSID:123769, http://www.chemspider.com/Chemical-Structure.123769.html (accessed 00:26, May 10, 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) = 2.66 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 106.78 (Adapted Stein & Brown method) Melting Pt (deg C): -72.65 (Mean or Weighted MP) VP(mm Hg,25 deg C): 28 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 533.2 log Kow used: 2.66 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 11.387 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Thiols(mercaptans) Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 7.85E-003 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 8.312E-003 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.66 (KowWin est) Log Kaw used: -0.494 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 3.154 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6903 Biowin2 (Non-Linear Model) : 0.7859 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.9334 (weeks ) Biowin4 (Primary Survey Model) : 3.6742 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4049 Biowin6 (MITI Non-Linear Model): 0.3872 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.6234 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): 3.52E+003 Pa (26.4 mm Hg) Log Koa (Koawin est ): 3.154 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 8.52E-010 Octanol/air (Koa) model: 3.5E-010 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 3.08E-008 Mackay model : 6.82E-008 Octanol/air (Koa) model: 2.8E-008 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 40.9625 E-12 cm3/molecule-sec Half-Life = 0.261 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 3.133 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 4.95E-008 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 96.63 Log Koc: 1.985 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 = 1.350 (BCF = 22.39) log Kow used: 2.66 (estimated) Volatilization from Water: Henry LC: 0.00785 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.201 hours Half-Life from Model Lake : 105.1 hours (4.378 days) Removal In Wastewater Treatment: Total removal: 75.83 percent Total biodegradation: 0.04 percent Total sludge adsorption: 1.86 percent Total to Air: 73.92 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 5.65 6.27 1000 Water 55.2 360 1000 Soil 38.6 720 1000 Sediment 0.502 3.24e+003 0 Persistence Time: 114 hr
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