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Thioxomethanone
C(=O)=S
InChI=1S/COS/c2-1-3
JJWKPURADFRFRB-UHFFFAOYSA-N
CSID:9644, http://www.chemspider.com/Chemical-Structure.9644.html (accessed 22:24, 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) = -1.33 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): -3.92 (Adapted Stein & Brown method) Melting Pt (deg C): -102.71 (Mean or Weighted MP) VP(mm Hg,25 deg C): 8.24E+003 (Mean VP of Antoine & Grain methods) MP (exp database): -138.8 deg C BP (exp database): -50 deg C VP (exp database): 9.41E+03 mm Hg at 25 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 1e+006 log Kow used: -1.33 (estimated) no-melting pt equation used Water Sol (Exper. database match) = 1220 mg/L (25 deg C) Exper. Ref: MACALUSO,P (1969) Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1e+006 mg/L Wat Sol (Exper. database match) = 1220.00 Exper. Ref: MACALUSO,P (1969) ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 4.92E-002 atm-m3/mole Group Method: Incomplete Exper Database: 4.81E-02 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 6.007E-005 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: -1.33 (KowWin est) Log Kaw used: 0.294 (exp database) Log Koa (KOAWIN v1.10 estimate): -1.624 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7189 Biowin2 (Non-Linear Model) : 0.8962 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.0664 (weeks ) Biowin4 (Primary Survey Model) : 3.7611 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.5334 Biowin6 (MITI Non-Linear Model): 0.6882 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.8361 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): 1.25E+006 Pa (9.41E+003 mm Hg) Log Koa (Koawin est ): -1.624 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 2.39E-012 Octanol/air (Koa) model: 5.83E-015 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 8.64E-011 Mackay model : 1.91E-010 Octanol/air (Koa) model: 4.67E-013 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): 1.39E-010 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.498 Log Koc: 0.176 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: -1.33 (estimated) Volatilization from Water: Henry LC: 0.0481 atm-m3/mole (Henry experimental database) Half-Life from Model River: 0.8003 hours (48.02 min) Half-Life from Model Lake : 73.72 hours (3.072 days) Removal In Wastewater Treatment: Total removal: 94.91 percent Total biodegradation: 0.02 percent Total sludge adsorption: 0.32 percent Total to Air: 94.57 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 56.5 1e+005 1000 Water 42.6 360 1000 Soil 0.815 720 1000 Sediment 0.078 3.24e+003 0 Persistence Time: 145 hr
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