Try beta.chemspider
Oxosulfane oxide
O=S=O
InChI=1S/O2S/c1-3-2
RAHZWNYVWXNFOC-UHFFFAOYSA-N
CSID:1087, http://www.chemspider.com/Chemical-Structure.1087.html (accessed 22:30, Apr 23, 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) = -2.20 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 522.06 (Adapted Stein & Brown method) Melting Pt (deg C): 212.80 (Mean or Weighted MP) VP(mm Hg,25 deg C): 2.6E+003 (Mean VP of Antoine & Grain methods) MP (exp database): -72 deg C BP (exp database): -10 deg C VP (exp database): 3.00E+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: -2.20 (estimated) no-melting pt equation used Water Sol (Exper. database match) = 1.07e+005 mg/L (21 deg C) Exper. Ref: VENABLE,CS & FUWA,T (1922) Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1e+006 mg/L Wat Sol (Exper. database match) = 107000.00 Exper. Ref: VENABLE,CS & FUWA,T (1922) ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 9.74E-011 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 6.406E-005 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: -2.20 (KowWin est) Log Kaw used: -8.400 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 6.200 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7170 Biowin2 (Non-Linear Model) : 0.8908 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.0576 (weeks ) Biowin4 (Primary Survey Model) : 3.7553 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.5216 Biowin6 (MITI Non-Linear Model): 0.6629 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): 4E+005 Pa (3E+003 mm Hg) Log Koa (Koawin est ): 6.200 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 7.5E-012 Octanol/air (Koa) model: 3.89E-007 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 2.71E-010 Mackay model : 6E-010 Octanol/air (Koa) model: 3.11E-005 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 60.0000 E-12 cm3/molecule-sec Half-Life = 0.178 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 2.139 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 4.35E-010 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 2.989 Log Koc: 0.476 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: -2.20 (estimated) Volatilization from Water: Henry LC: 9.74E-011 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 4.811E+006 hours (2.005E+005 days) Half-Life from Model Lake : 5.249E+007 hours (2.187E+006 days) Removal In Wastewater Treatment: Total removal: 1.85 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.75 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 0.00229 4.28 1000 Water 39 360 1000 Soil 60.9 720 1000 Sediment 0.0714 3.24e+003 0 Persistence Time: 577 hr
Click to predict properties on the Chemicalize site
Advertisement
Spotlight