2-Thiiranylmethyl methacrylate
CC(=C)C(=O)OCC1CS1
InChI=1S/C7H10O2S/c1-5(2)7(8)9-3-6-4-10-6/h6H,1,3-4H2,2H3
OXUABORVCCLQJI-UHFFFAOYSA-N
CSID:92995, http://www.chemspider.com/Chemical-Structure.92995.html (accessed 20:51, Mar 23, 2023)
Validated by Experts, Validated by Users, Non-Validated, Removed by Users
Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module
Predicted data is generated using the US Environmental Protection Agency�s EPISuite
Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = 1.67 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 202.46 (Adapted Stein & Brown method) Melting Pt (deg C): 11.02 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.319 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 2630 log Kow used: 1.67 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 2311.2 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Methacrylates Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 9.05E-007 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.525E-005 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.67 (KowWin est) Log Kaw used: -4.432 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 6.102 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8464 Biowin2 (Non-Linear Model) : 0.9922 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.9897 (weeks ) Biowin4 (Primary Survey Model) : 3.8484 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.6796 Biowin6 (MITI Non-Linear Model): 0.7345 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.7267 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): 38.9 Pa (0.292 mm Hg) Log Koa (Koawin est ): 6.102 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 7.71E-008 Octanol/air (Koa) model: 3.1E-007 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 2.78E-006 Mackay model : 6.16E-006 Octanol/air (Koa) model: 2.48E-005 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 22.3012 E-12 cm3/molecule-sec Half-Life = 0.480 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 5.755 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 1.137500 E-17 cm3/molecule-sec Half-Life = 1.007 Days (at 7E11 mol/cm3) Half-Life = 24.179 Hrs Fraction sorbed to airborne particulates (phi): 4.47E-006 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 64.99 Log Koc: 1.813 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 1.752E-003 L/mol-sec Kb Half-Life at pH 8: 12.537 years Kb Half-Life at pH 7: 125.369 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 0.584 (BCF = 3.833) log Kow used: 1.67 (estimated) Volatilization from Water: Henry LC: 9.05E-007 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 815 hours (33.96 days) Half-Life from Model Lake : 8997 hours (374.9 days) Removal In Wastewater Treatment: Total removal: 2.08 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.94 percent Total to Air: 0.05 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.861 7.8 1000 Water 35.8 360 1000 Soil 63.2 720 1000 Sediment 0.0943 3.24e+003 0 Persistence Time: 399 hr
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