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N-(3-Chloro-2-methylphenyl)-2,2,3,3-tetramethylcyclopropanecarboxamide
Cc1c(cccc1Cl)NC(=O)C2C(C2(C)C)(C)C
InChI=1S/C15H20ClNO/c1-9-10(16)7-6-8-11(9)17-13(18)12-14(2,3)15(12,4)5/h6-8,12H,1-5H3,(H,17,18)
XPCWDPRQBIOXMR-UHFFFAOYSA-N
CSID:726039, http://www.chemspider.com/Chemical-Structure.726039.html (accessed 18:05, May 16, 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) = 4.27 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 388.86 (Adapted Stein & Brown method) Melting Pt (deg C): 158.32 (Mean or Weighted MP) VP(mm Hg,25 deg C): 6.68E-007 (Modified Grain method) Subcooled liquid VP: 1.55E-005 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): 4.385 log Kow used: 4.27 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 2.0007 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.22E-008 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 5.328E-008 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.27 (KowWin est) Log Kaw used: -6.302 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 10.572 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.3356 Biowin2 (Non-Linear Model) : 0.0493 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.8519 (months ) Biowin4 (Primary Survey Model) : 3.1290 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2697 Biowin6 (MITI Non-Linear Model): 0.0445 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.7394 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): 0.00207 Pa (1.55E-005 mm Hg) Log Koa (Koawin est ): 10.572 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.00145 Octanol/air (Koa) model: 0.00916 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.0498 Mackay model : 0.104 Octanol/air (Koa) model: 0.423 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 11.5564 E-12 cm3/molecule-sec Half-Life = 0.926 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 11.107 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.0769 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 2462 Log Koc: 3.391 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 = 2.585 (BCF = 384.8) log Kow used: 4.27 (estimated) Volatilization from Water: Henry LC: 1.22E-008 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 7.824E+004 hours (3260 days) Half-Life from Model Lake : 8.537E+005 hours (3.557E+004 days) Removal In Wastewater Treatment: Total removal: 43.65 percent Total biodegradation: 0.43 percent Total sludge adsorption: 43.22 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 0.0511 22.2 1000 Water 8.62 1.44e+003 1000 Soil 86.4 2.88e+003 1000 Sediment 4.95 1.3e+004 0 Persistence Time: 2.78e+003 hr
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