Try beta.chemspider
1,3-Oxazole-4-carboxamide
c1c(nco1)C(=O)N
InChI=1S/C4H4N2O2/c5-4(7)3-1-8-2-6-3/h1-2H,(H2,5,7)
VAELWSLNTRVXQS-UHFFFAOYSA-N
CSID:10431012, http://www.chemspider.com/Chemical-Structure.10431012.html (accessed 15:10, Apr 26, 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) = -0.40 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 270.42 (Adapted Stein & Brown method) Melting Pt (deg C): 89.19 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.00223 (Modified Grain method) Subcooled liquid VP: 0.00925 mm Hg (25 deg C, Mod-Grain method) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 1.146e+004 log Kow used: -0.40 (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: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.89E-012 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.870E-008 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: -0.40 (KowWin est) Log Kaw used: -9.928 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 9.528 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.9043 Biowin2 (Non-Linear Model) : 0.9838 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.8973 (weeks ) Biowin4 (Primary Survey Model) : 3.8915 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.5217 Biowin6 (MITI Non-Linear Model): 0.6025 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.0773 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): 1.23 Pa (0.00925 mm Hg) Log Koa (Koawin est ): 9.528 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 2.43E-006 Octanol/air (Koa) model: 0.000828 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 8.79E-005 Mackay model : 0.000195 Octanol/air (Koa) model: 0.0621 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 10.2955 E-12 cm3/molecule-sec Half-Life = 1.039 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 12.467 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.000141 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 27.96 Log Koc: 1.446 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: -0.40 (estimated) Volatilization from Water: Henry LC: 2.89E-012 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 2.145E+008 hours (8.937E+006 days) Half-Life from Model Lake : 2.34E+009 hours (9.749E+007 days) Removal In Wastewater Treatment: Total removal: 1.85 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.76 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 6.8e-005 24.9 1000 Water 38.8 360 1000 Soil 61.1 720 1000 Sediment 0.0712 3.24e+003 0 Persistence Time: 580 hr
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