Try beta.chemspider
- 1 of 1 defined stereocentres
(2R)-2-(Methoxymethyl)oxirane
COC[C@H]1CO1
InChI=1S/C4H8O2/c1-5-2-4-3-6-4/h4H,2-3H2,1H3/t4-/m0/s1
LKMJVFRMDSNFRT-BYPYZUCNSA-N
CSID:2016193, http://www.chemspider.com/Chemical-Structure.2016193.html (accessed 02:14, May 6, 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) = -0.39 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 83.44 (Adapted Stein & Brown method) Melting Pt (deg C): -68.26 (Mean or Weighted MP) VP(mm Hg,25 deg C): 25.2 (Mean VP of Antoine & Grain methods) BP (exp database): 113 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 2.726e+005 log Kow used: -0.39 (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: Epoxides Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.87E-006 atm-m3/mole Group Method: 1.94E-007 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 1.072E-005 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: -0.39 (KowWin est) Log Kaw used: -4.117 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 3.727 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.0109 Biowin2 (Non-Linear Model) : 0.0061 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.9871 (weeks ) Biowin4 (Primary Survey Model) : 3.7011 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.5350 Biowin6 (MITI Non-Linear Model): 0.5803 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.1874 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): 3.16E+003 Pa (23.7 mm Hg) Log Koa (Koawin est ): 3.727 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 9.49E-010 Octanol/air (Koa) model: 1.31E-009 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 3.43E-008 Mackay model : 7.59E-008 Octanol/air (Koa) model: 1.05E-007 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 8.3356 E-12 cm3/molecule-sec Half-Life = 1.283 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 15.398 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 5.51E-008 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1 Log Koc: 0.000 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Ka (acid-catalyzed) at 25 deg C : 2.507E-003 L/mol-sec Ka Half-Life at pH 7: 87.596 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 0.500 (BCF = 3.162) log Kow used: -0.39 (estimated) Volatilization from Water: Henry LC: 1.87E-006 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 294.8 hours (12.29 days) Half-Life from Model Lake : 3295 hours (137.3 days) Removal In Wastewater Treatment: Total removal: 1.95 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.75 percent Total to Air: 0.11 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 3.04 30.8 1000 Water 46.8 360 1000 Soil 50.1 720 1000 Sediment 0.0859 3.24e+003 0 Persistence Time: 352 hr
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