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- 2 of 2 defined stereocentres
(2R,3R)-2-Ethyl-3-methyloxirane
CC[C@@H]1[C@H](O1)C
InChI=1S/C5H10O/c1-3-5-4(2)6-5/h4-5H,3H2,1-2H3/t4-,5-/m1/s1
BCJPEZMFAKOJPM-RFZPGFLSSA-N
CSID:4932511, http://www.chemspider.com/Chemical-Structure.4932511.html (accessed 14:14, Jun 16, 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) = 1.28 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 75.29 (Adapted Stein & Brown method) Melting Pt (deg C): -78.24 (Mean or Weighted MP) VP(mm Hg,25 deg C): 116 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 1.024e+004 log Kow used: 1.28 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 16687 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Epoxides Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.81E-004 atm-m3/mole Group Method: 4.06E-004 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 1.284E-003 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.28 (KowWin est) Log Kaw used: -1.940 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 3.220 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.3592 Biowin2 (Non-Linear Model) : 0.1619 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.0002 (weeks ) Biowin4 (Primary Survey Model) : 3.7137 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.5325 Biowin6 (MITI Non-Linear Model): 0.5353 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.5246 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): 1.51E+004 Pa (113 mm Hg) Log Koa (Koawin est ): 3.220 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.99E-010 Octanol/air (Koa) model: 4.07E-010 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 7.19E-009 Mackay model : 1.59E-008 Octanol/air (Koa) model: 3.26E-008 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 2.1326 E-12 cm3/molecule-sec Half-Life = 5.016 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 60.186 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 1.16E-008 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 7.425 Log Koc: 0.871 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Ka (acid-catalyzed) at 25 deg C : 3.229E-001 L/mol-sec Ka Half-Life at pH 7: 248.406 days Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 0.286 (BCF = 1.933) log Kow used: 1.28 (estimated) Volatilization from Water: Henry LC: 0.000281 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 2.881 hours Half-Life from Model Lake : 109.2 hours (4.552 days) Removal In Wastewater Treatment: Total removal: 13.33 percent Total biodegradation: 0.08 percent Total sludge adsorption: 1.65 percent Total to Air: 11.60 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 19 120 1000 Water 41.6 360 1000 Soil 39.2 720 1000 Sediment 0.0899 3.24e+003 0 Persistence Time: 218 hr
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