Try beta.chemspider
2-(2-Methyl-2-propanyl)-3-(trichloromethyl)oxaziridine
CC(C)(C)N1C(O1)C(Cl)(Cl)Cl
InChI=1S/C6H10Cl3NO/c1-5(2,3)10-4(11-10)6(7,8)9/h4H,1-3H3
URRVKQHINCACCQ-UHFFFAOYSA-N
CSID:304057, http://www.chemspider.com/Chemical-Structure.304057.html (accessed 18:37, Jul 1, 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) = 2.91 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 193.26 (Adapted Stein & Brown method) Melting Pt (deg C): 23.26 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.504 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 115.8 log Kow used: 2.91 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 2797.5 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 9.60E-006 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.251E-003 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.91 (KowWin est) Log Kaw used: -3.406 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 6.316 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : -0.0585 Biowin2 (Non-Linear Model) : 0.0001 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.7725 (months ) Biowin4 (Primary Survey Model) : 2.9238 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2142 Biowin6 (MITI Non-Linear Model): 0.0069 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.0756 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): 61.3 Pa (0.46 mm Hg) Log Koa (Koawin est ): 6.316 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 4.89E-008 Octanol/air (Koa) model: 5.08E-007 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1.77E-006 Mackay model : 3.91E-006 Octanol/air (Koa) model: 4.07E-005 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 0.5063 E-12 cm3/molecule-sec Half-Life = 21.125 Days (12-hr day; 1.5E6 OH/cm3) Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 2.84E-006 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 773.8 Log Koc: 2.889 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 = 1.537 (BCF = 34.43) log Kow used: 2.91 (estimated) Volatilization from Water: Henry LC: 9.6E-006 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 91.66 hours (3.819 days) Half-Life from Model Lake : 1124 hours (46.83 days) Removal In Wastewater Treatment: Total removal: 5.50 percent Total biodegradation: 0.12 percent Total sludge adsorption: 4.86 percent Total to Air: 0.52 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 2.04 507 1000 Water 16.4 1.44e+003 1000 Soil 81.3 2.88e+003 1000 Sediment 0.332 1.3e+004 0 Persistence Time: 1.49e+003 hr
Click to predict properties on the Chemicalize site
Advertisement
Spotlight