2-Sulfanylethanol
C(CS)O
InChI=1S/C2H6OS/c3-1-2-4/h3-4H,1-2H2
DGVVWUTYPXICAM-UHFFFAOYSA-N
CSID:1512, http://www.chemspider.com/Chemical-Structure.1512.html (accessed 07:19, Apr 16, 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) = -0.20 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 147.39 (Adapted Stein & Brown method) Melting Pt (deg C): -45.59 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.861 (Mean VP of Antoine & Grain methods) MP (exp database): < 25 deg C BP (exp database): 158 deg C VP (exp database): 1.76E+00 mm Hg at 25 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 1.944e+005 log Kow used: -0.20 (estimated) no-melting pt equation used Water Sol (Exper. database match) = 1e+006 mg/L ( deg C) Exper. Ref: MERCK INDEX (1996) Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1.9145e+005 mg/L Wat Sol (Exper. database match) = 1000000.00 Exper. Ref: MERCK INDEX (1996) ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Thiols(mercaptans) Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.27E-007 atm-m3/mole Group Method: 3.38E-008 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 4.553E-007 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: -0.20 (KowWin est) Log Kaw used: -5.285 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 5.085 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8691 Biowin2 (Non-Linear Model) : 0.9533 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.1865 (weeks ) Biowin4 (Primary Survey Model) : 3.8645 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.7397 Biowin6 (MITI Non-Linear Model): 0.8941 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 1.0208 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): 235 Pa (1.76 mm Hg) Log Koa (Koawin est ): 5.085 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.28E-008 Octanol/air (Koa) model: 2.99E-008 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 4.62E-007 Mackay model : 1.02E-006 Octanol/air (Koa) model: 2.39E-006 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 45.6217 E-12 cm3/molecule-sec Half-Life = 0.234 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 2.813 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 7.42E-007 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.325 Log Koc: 0.122 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: -0.20 (estimated) Volatilization from Water: Henry LC: 3.38E-008 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 1.531E+004 hours (638 days) Half-Life from Model Lake : 1.671E+005 hours (6963 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 0.39 5.63 1000 Water 43.2 360 1000 Soil 56.3 720 1000 Sediment 0.0795 3.24e+003 0 Persistence Time: 430 hr
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