Try beta.chemspider
N-{[2-(Trichloromethyl)-1,3-dioxolan-2-yl]carbamoyl}benzamide
c1ccc(cc1)C(=O)NC(=O)NC2(OCCO2)C(Cl)(Cl)Cl
InChI=1S/C12H11Cl3N2O4/c13-11(14,15)12(20-6-7-21-12)17-10(19)16-9(18)8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,16,17,18,19)
GUIVAQULGXHVFB-UHFFFAOYSA-N
CSID:1260909, http://www.chemspider.com/Chemical-Structure.1260909.html (accessed 15:50, May 10, 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) = 3.21 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 519.74 (Adapted Stein & Brown method) Melting Pt (deg C): 221.82 (Mean or Weighted MP) VP(mm Hg,25 deg C): 6.8E-011 (Modified Grain method) Subcooled liquid VP: 8.66E-009 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): 10.68 log Kow used: 3.21 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 7.9834 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Imides Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.64E-014 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.962E-012 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.21 (KowWin est) Log Kaw used: -12.174 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 15.384 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : -0.6894 Biowin2 (Non-Linear Model) : 0.0000 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.4787 (recalcitrant) Biowin4 (Primary Survey Model) : 2.7143 (weeks-months) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.1178 Biowin6 (MITI Non-Linear Model): 0.0004 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.8898 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): 1.15E-006 Pa (8.66E-009 mm Hg) Log Koa (Koawin est ): 15.384 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 2.6 Octanol/air (Koa) model: 594 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.989 Mackay model : 0.995 Octanol/air (Koa) model: 1 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 4.2480 E-12 cm3/molecule-sec Half-Life = 2.518 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 30.215 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.992 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 12.04 Log Koc: 1.080 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 = 1.772 (BCF = 59.16) log Kow used: 3.21 (estimated) Volatilization from Water: Henry LC: 1.64E-014 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 6.713E+010 hours (2.797E+009 days) Half-Life from Model Lake : 7.323E+011 hours (3.051E+010 days) Removal In Wastewater Treatment: Total removal: 7.93 percent Total biodegradation: 0.14 percent Total sludge adsorption: 7.79 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 4.79e-006 60.4 1000 Water 5.73 4.32e+003 1000 Soil 94 8.64e+003 1000 Sediment 0.28 3.89e+004 0 Persistence Time: 7.04e+003 hr
Click to predict properties on the Chemicalize site
Advertisement
Spotlight