Sulfuryl dichloride
O=S(=O)(Cl)Cl
InChI=1S/Cl2O2S/c1-5(2,3)4
YBBRCQOCSYXUOC-UHFFFAOYSA-N
CSID:23050, http://www.chemspider.com/Chemical-Structure.23050.html (accessed 16:03, Apr 18, 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) = 1.04 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 554.72 (Adapted Stein & Brown method) Melting Pt (deg C): 233.48 (Mean or Weighted MP) VP(mm Hg,25 deg C): 135 (Mean VP of Antoine & Grain methods) MP (exp database): -54.1 deg C BP (exp database): 69.3 deg C VP (exp database): 1.40E+02 mm Hg at 25 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 1.146e+004 log Kow used: 1.04 (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: Acid Chloride/Halide Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.08E-004 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.092E-003 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.04 (KowWin est) Log Kaw used: -1.900 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 2.940 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6833 Biowin2 (Non-Linear Model) : 0.7488 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.9009 (weeks ) Biowin4 (Primary Survey Model) : 3.6530 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3106 Biowin6 (MITI Non-Linear Model): 0.2025 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): 1.87E+004 Pa (140 mm Hg) Log Koa (Koawin est ): 2.940 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.61E-010 Octanol/air (Koa) model: 2.14E-010 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 5.8E-009 Mackay model : 1.29E-008 Octanol/air (Koa) model: 1.71E-008 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): 9.33E-009 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 6.124 Log Koc: 0.787 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 = 0.098 (BCF = 1.252) log Kow used: 1.04 (estimated) Volatilization from Water: Henry LC: 0.000308 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 3.394 hours Half-Life from Model Lake : 134.4 hours (5.601 days) Removal In Wastewater Treatment: Total removal: 14.17 percent Total biodegradation: 0.08 percent Total sludge adsorption: 1.61 percent Total to Air: 12.48 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 29.3 1e+005 1000 Water 39.7 360 1000 Soil 30.9 720 1000 Sediment 0.0802 3.24e+003 0 Persistence Time: 228 hr
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