Try beta.chemspider
(3-Chloro-1,2-oxazol-5-yl)methanol
c1c(onc1Cl)CO
InChI=1S/C4H4ClNO2/c5-4-1-3(2-7)8-6-4/h1,7H,2H2
GOYVQDNFGMZJNQ-UHFFFAOYSA-N
CSID:14741274, http://www.chemspider.com/Chemical-Structure.14741274.html (accessed 22:29, Apr 23, 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) = -0.06 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 212.34 (Adapted Stein & Brown method) Melting Pt (deg C): 30.80 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.0281 (Modified Grain method) Subcooled liquid VP: 0.0316 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): 9.985e+004 log Kow used: -0.06 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1.845e+005 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Benzyl Alcohols Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.70E-009 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 4.945E-008 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: -0.06 (KowWin est) Log Kaw used: -7.158 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 7.098 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6603 Biowin2 (Non-Linear Model) : 0.5535 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.8574 (weeks ) Biowin4 (Primary Survey Model) : 3.6192 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4347 Biowin6 (MITI Non-Linear Model): 0.3661 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.4638 Ready Biodegradability Prediction: NO Hydrocarbon Biodegradation (BioHCwin v1.01): Structure incompatible with current estimation method! Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 4.21 Pa (0.0316 mm Hg) Log Koa (Koawin est ): 7.098 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 7.12E-007 Octanol/air (Koa) model: 3.08E-006 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 2.57E-005 Mackay model : 5.7E-005 Octanol/air (Koa) model: 0.000246 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 19.3157 E-12 cm3/molecule-sec Half-Life = 0.554 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 6.645 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 4.13E-005 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 13.75 Log Koc: 1.138 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: -0.06 (estimated) Volatilization from Water: Henry LC: 1.7E-009 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 3.98E+005 hours (1.658E+004 days) Half-Life from Model Lake : 4.342E+006 hours (1.809E+005 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 0.0389 13.3 1000 Water 38.7 360 1000 Soil 61.1 720 1000 Sediment 0.0715 3.24e+003 0 Persistence Time: 573 hr
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