Try beta.chemspider
5-(4-Chlorophenyl)-3-methyl-N'-[4-(trifluoromethyl)benzoyl]-1,2-oxazole-4-carbohydrazide
Cc1c(c(on1)c2ccc(cc2)Cl)C(=O)NNC(=O)c3ccc(cc3)C(F)(F)F
InChI=1S/C19H13ClF3N3O3/c1-10-15(16(29-26-10)11-4-8-14(20)9-5-11)18(28)25-24-17(27)12-2-6-13(7-3-12)19(21,22)23/h2-9H,1H3,(H,24,27)(H,25,28)
OCHUACMKRCGQPZ-UHFFFAOYSA-N
CSID:2025509, http://www.chemspider.com/Chemical-Structure.2025509.html (accessed 15:37, May 17, 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) = 4.36 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 603.56 (Adapted Stein & Brown method) Melting Pt (deg C): 260.97 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.56E-013 (Modified Grain method) Subcooled liquid VP: 5.96E-011 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): 0.4135 log Kow used: 4.36 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 4.4718 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Hydrazines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 5.40E-014 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.104E-013 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.36 (KowWin est) Log Kaw used: -11.656 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 16.016 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : -0.1024 Biowin2 (Non-Linear Model) : 0.0000 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.4683 (recalcitrant) Biowin4 (Primary Survey Model) : 2.7281 (weeks-months) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.7561 Biowin6 (MITI Non-Linear Model): 0.0000 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.7014 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): 7.95E-009 Pa (5.96E-011 mm Hg) Log Koa (Koawin est ): 16.016 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 378 Octanol/air (Koa) model: 2.55E+003 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1 Mackay model : 1 Octanol/air (Koa) model: 1 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 10.4940 E-12 cm3/molecule-sec Half-Life = 1.019 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 12.231 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 1 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 3.08E+005 Log Koc: 5.489 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 = 2.656 (BCF = 452.4) log Kow used: 4.36 (estimated) Volatilization from Water: Henry LC: 5.4E-014 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 2.232E+010 hours (9.3E+008 days) Half-Life from Model Lake : 2.435E+011 hours (1.015E+010 days) Removal In Wastewater Treatment: Total removal: 48.51 percent Total biodegradation: 0.46 percent Total sludge adsorption: 48.05 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 0.00227 24.5 1000 Water 3.74 4.32e+003 1000 Soil 92.2 8.64e+003 1000 Sediment 4.04 3.89e+004 0 Persistence Time: 8.35e+003 hr
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