Try beta.chemspider
You have reached the page for a ChemSpider record that has been deprecated.
This page is not active and is only accessible by directly using this URL. If you have been directed here from another website or database please notify the administrator of that resource. See below for more details.
Tetroxathiolane dioxide
O=S1(=O)OOOO1
InChI=1S/O6S/c1-7(2)5-3-4-6-7
DAFQZPUISLXFBF-UHFFFAOYSA-N
Date of deprecation: 15:56, Feb 3, 2017 Reason for deprecation: Deprecate record: dubious structure with a 5-membered ring made up of 4 oxygens and a sulfur.
If you believe this record was deprecated in error, please use the Comment on this record button to contact the ChemSpider team.
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) = -1.88 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 585.26 (Adapted Stein & Brown method) Melting Pt (deg C): 252.43 (Mean or Weighted MP) VP(mm Hg,25 deg C): 5.96E-013 (Modified Grain method) Subcooled liquid VP: 1.78E-010 mm Hg (25 deg C, Mod-Grain method) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 1e+006 log Kow used: -1.88 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1e+006 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Peroxy Acids Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.20E-003 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.004E-019 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: -1.88 (KowWin est) Log Kaw used: -1.309 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): -0.571 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6866 Biowin2 (Non-Linear Model) : 0.7668 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.9162 (weeks ) Biowin4 (Primary Survey Model) : 3.6630 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3312 Biowin6 (MITI Non-Linear Model): 0.2366 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): 2.37E-008 Pa (1.78E-010 mm Hg) Log Koa (Koawin est ): -0.571 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 126 Octanol/air (Koa) model: 6.59E-014 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1 Mackay model : 1 Octanol/air (Koa) model: 5.27E-012 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 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 26.84 Log Koc: 1.429 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: -1.88 (estimated) Volatilization from Water: Henry LC: 0.0012 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.707 hours Half-Life from Model Lake : 113.5 hours (4.73 days) Removal In Wastewater Treatment: Total removal: 34.32 percent Total biodegradation: 0.07 percent Total sludge adsorption: 1.25 percent Total to Air: 33.00 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 20.2 1e+005 1000 Water 42.2 360 1000 Soil 37.5 720 1000 Sediment 0.0772 3.24e+003 0 Persistence Time: 277 hr
Click to predict properties on the Chemicalize site
Advertisement
Spotlight