2-[(2-Methoxyethyl)sulfanyl]ethanol
OCCSCCOC CopyCopied
InChI=1S/C5H12O2S/c1-7-3-5-8-4-2-6/h6H,2-5H2,1H3 CopyCopied
OYUACNRNQVYILQ-UHFFFAOYSA-N CopyCopied
Validated by Experts, Validated by Users, Non-Validated, Removed by Users, Redirected by Users, Redirect Approved by Experts
2-(2-methoxyethylthio)ethan-1-ol
25756-33-6 [RN]
3-01-00-02123 (Beilstein Handbook Reference) [Beilstein]
BRN 1734378 [DBID]
Predicted data is generated using the ACD/Labs’ ACD/PhysChem Suite, for more information see their website.
Predicted data is generated using the US Environmental Protection Agency’s EPISuite™, for more information see their website.
Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = -0.33 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 218.29 (Adapted Stein & Brown method) Melting Pt (deg C): 2.10 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.0241 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 1.658e+005 log Kow used: -0.33 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 4.9052e+005 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 5.93E-010 atm-m3/mole Group Method: 3.79E-011 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 2.605E-008 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: -0.33 (KowWin est) Log Kaw used: -7.615 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 7.285 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.4941 Biowin2 (Non-Linear Model) : 0.2249 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.0495 (weeks ) Biowin4 (Primary Survey Model) : 3.7709 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.6676 Biowin6 (MITI Non-Linear Model): 0.7734 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.7360 Ready Biodegradability Prediction: YES Hydrocarbon Biodegradation (BioHCwin v1.01): Structure incompatible with current estimation method! Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 2.95 Pa (0.0221 mm Hg) Log Koa (Koawin est ): 7.285 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.02E-006 Octanol/air (Koa) model: 4.73E-006 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 3.68E-005 Mackay model : 8.14E-005 Octanol/air (Koa) model: 0.000378 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 48.1573 E-12 cm3/molecule-sec Half-Life = 0.222 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 2.665 Hrs Ozone Reaction: No Ozone Reaction Estimation Reaction With Nitrate Radicals May Be Important! Fraction sorbed to airborne particulates (phi): 5.91E-005 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1 Log Koc: 0.000 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 = 0.500 (BCF = 3.162) log Kow used: -0.33 (estimated) Volatilization from Water: Henry LC: 3.79E-011 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 1.803E+007 hours (7.512E+005 days) Half-Life from Model Lake : 1.967E+008 hours (8.195E+006 days) Removal In Wastewater Treatment: Total removal: 1.85 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.76 percent Total to Air: 0.00 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.00089 5.33 1000 Water 38.8 360 1000 Soil 61.2 720 1000 Sediment 0.0712 3.24e+003 0 Persistence Time: 580 hr
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