Try beta.chemspider
2-$l^{1}-oxidanyloxazolidine
C1COC(N1)[O]
InChI=1S/C3H6NO2/c5-3-4-1-2-6-3/h3-4H,1-2H2
DGSVAJMDQJAPIV-UHFFFAOYSA-N
CSID:13228329, http://www.chemspider.com/Chemical-Structure.13228329.html (accessed 22:10, Apr 28, 2024)
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) = -2.59 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 178.52 (Adapted Stein & Brown method) Melting Pt (deg C): 22.15 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.264 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 1e+006 log Kow used: -2.59 (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: Aliphatic Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.25E-009 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 3.095E-008 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: -2.59 (KowWin est) Log Kaw used: -7.292 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 4.702 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6703 Biowin2 (Non-Linear Model) : 0.6322 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.1780 (weeks ) Biowin4 (Primary Survey Model) : 3.8822 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.6949 Biowin6 (MITI Non-Linear Model): 0.7129 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.6883 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): 31.3 Pa (0.235 mm Hg) Log Koa (Koawin est ): 4.702 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 9.57E-008 Octanol/air (Koa) model: 1.24E-008 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 3.46E-006 Mackay model : 7.66E-006 Octanol/air (Koa) model: 9.89E-007 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 333.6080 E-12 cm3/molecule-sec Half-Life = 0.032 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 23.084 Min Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 5.56E-006 (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]: 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: -2.59 (estimated) Volatilization from Water: Henry LC: 1.25E-009 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 4.421E+005 hours (1.842E+004 days) Half-Life from Model Lake : 4.823E+006 hours (2.01E+005 days) Removal In Wastewater Treatment: Total removal: 1.85 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.75 percent Total to Air: 0.00 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.023 0.769 1000 Water 40.8 360 1000 Soil 59.1 720 1000 Sediment 0.0747 3.24e+003 0 Persistence Time: 507 hr
Click to predict properties on the Chemicalize site
Advertisement
Spotlight