Methanedithione
C(=S)=S
InChI=1S/CS2/c2-1-3
QGJOPFRUJISHPQ-UHFFFAOYSA-N
CSID:6108, http://www.chemspider.com/Chemical-Structure.6108.html (accessed 09:26, Sep 22, 2023)
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) = 1.94 Log Kow (Exper. database match) = 1.94 Exper. Ref: Hansch,C et al. (1995) Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 34.75 (Adapted Stein & Brown method) Melting Pt (deg C): -77.02 (Mean or Weighted MP) VP(mm Hg,25 deg C): 342 (Mean VP of Antoine & Grain methods) MP (exp database): -111.5 deg C BP (exp database): 46 deg C VP (exp database): 3.59E+02 mm Hg at 25 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 2928 log Kow used: 1.94 (expkow database) no-melting pt equation used Water Sol (Exper. database match) = 1180 mg/L (25 deg C) Exper. Ref: SEIDELL,A (1941) Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1179.7 mg/L Wat Sol (Exper. database match) = 1180.00 Exper. Ref: SEIDELL,A (1941) ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.02E-002 atm-m3/mole Group Method: Incomplete Exper Database: 1.44E-02 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 1.170E-002 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.94 (exp database) Log Kaw used: -0.230 (exp database) Log Koa (KOAWIN v1.10 estimate): 2.170 Log Koa (experimental database): 2.280 Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7113 Biowin2 (Non-Linear Model) : 0.8730 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.0309 (weeks ) Biowin4 (Primary Survey Model) : 3.7379 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4857 Biowin6 (MITI Non-Linear Model): 0.5812 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.8361 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): 4.79E+004 Pa (359 mm Hg) Log Koa (Exp database): 2.280 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 6.27E-011 Octanol/air (Koa) model: 4.68E-011 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 2.26E-009 Mackay model : 5.01E-009 Octanol/air (Koa) model: 3.74E-009 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 0.0000 E-12 cm3/molecule-sec Half-Life = ------- Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 3.64E-009 (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 = 0.794 (BCF = 6.22) log Kow used: 1.94 (expkow database) Volatilization from Water: Henry LC: 0.0144 atm-m3/mole (Henry experimental database) Half-Life from Model River: 0.9258 hours (55.55 min) Half-Life from Model Lake : 83.26 hours (3.469 days) Removal In Wastewater Treatment: Total removal: 84.94 percent Total biodegradation: 0.03 percent Total sludge adsorption: 0.70 percent Total to Air: 84.21 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 53.8 1e+005 1000 Water 41.4 360 1000 Soil 4.7 720 1000 Sediment 0.137 3.24e+003 0 Persistence Time: 151 hr
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