Try beta.chemspider
(Methyldisulfanyl)ethane
CCSSC
InChI=1S/C3H8S2/c1-3-5-4-2/h3H2,1-2H3
XLTBPTGNNLIKRW-UHFFFAOYSA-N
CSID:109985, http://www.chemspider.com/Chemical-Structure.109985.html (accessed 16:17, Apr 24, 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) = 2.36 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 136.67 (Adapted Stein & Brown method) Melting Pt (deg C): -57.32 (Mean or Weighted MP) VP(mm Hg,25 deg C): 7.4 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 1055 log Kow used: 2.36 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 956.73 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.61E-003 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 9.988E-004 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.36 (KowWin est) Log Kaw used: -1.182 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 3.542 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6960 Biowin2 (Non-Linear Model) : 0.8134 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.9600 (weeks ) Biowin4 (Primary Survey Model) : 3.6916 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4404 Biowin6 (MITI Non-Linear Model): 0.4675 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.7029 Ready Biodegradability Prediction: NO Hydrocarbon Biodegradation (BioHCwin v1.01): LOG BioHC Half-Life (days) : 0.4952 BioHC Half-Life (days) : 3.1275 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 909 Pa (6.82 mm Hg) Log Koa (Koawin est ): 3.542 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 3.3E-009 Octanol/air (Koa) model: 8.55E-010 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1.19E-007 Mackay model : 2.64E-007 Octanol/air (Koa) model: 6.84E-008 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 233.5133 E-12 cm3/molecule-sec Half-Life = 0.046 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.550 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 1.92E-007 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 80.77 Log Koc: 1.907 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 = 1.121 (BCF = 13.2) log Kow used: 2.36 (estimated) Volatilization from Water: Henry LC: 0.00161 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.44 hours Half-Life from Model Lake : 102.9 hours (4.289 days) Removal In Wastewater Treatment: Total removal: 40.98 percent Total biodegradation: 0.07 percent Total sludge adsorption: 1.91 percent Total to Air: 39.00 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.696 1.1 1000 Water 41.9 360 1000 Soil 57.2 720 1000 Sediment 0.235 3.24e+003 0 Persistence Time: 160 hr
Click to predict properties on the Chemicalize site
Advertisement
Spotlight