Try beta.chemspider
4,5-dihydrooxazole
C1CO[C]=N1
InChI=1S/C3H4NO/c1-2-5-3-4-1/h1-2H2
PNXARVQFZVINTL-UHFFFAOYSA-N
CSID:10618821, http://www.chemspider.com/Chemical-Structure.10618821.html (accessed 07:30, Apr 29, 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) = 0.31 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 88.50 (Adapted Stein & Brown method) Melting Pt (deg C): -48.78 (Mean or Weighted MP) VP(mm Hg,25 deg C): 61.1 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 7.266e+004 log Kow used: 0.32 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1.5324e+005 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.50E-005 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 7.865E-005 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 0.31 (KowWin est) Log Kaw used: -2.991 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 3.301 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7137 Biowin2 (Non-Linear Model) : 0.8807 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.0421 (weeks ) Biowin4 (Primary Survey Model) : 3.7452 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.5526 Biowin6 (MITI Non-Linear Model): 0.6937 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.6355 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): 7.83E+003 Pa (58.7 mm Hg) Log Koa (Koawin est ): 3.301 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 3.83E-010 Octanol/air (Koa) model: 4.91E-010 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1.38E-008 Mackay model : 3.07E-008 Octanol/air (Koa) model: 3.93E-008 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 14.1509 E-12 cm3/molecule-sec Half-Life = 0.756 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 9.070 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 2.23E-008 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 4.881 Log Koc: 0.689 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: 0.32 (estimated) Volatilization from Water: Henry LC: 2.5E-005 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 20.6 hours Half-Life from Model Lake : 295.5 hours (12.31 days) Removal In Wastewater Treatment: Total removal: 3.19 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.74 percent Total to Air: 1.36 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 2.95 18.1 1000 Water 47.4 360 1000 Soil 49.6 720 1000 Sediment 0.0883 3.24e+003 0 Persistence Time: 304 hr
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