N-(2-Methyl-2-propanyl)cyclohexanecarboxamide
CC(C)(C)NC(=O)C1CCCCC1
InChI=1S/C11H21NO/c1-11(2,3)12-10(13)9-7-5-4-6-8-9/h9H,4-8H2,1-3H3,(H,12,13)
XEIUHIBWXRWRKW-UHFFFAOYSA-N
CSID:216091, http://www.chemspider.com/Chemical-Structure.216091.html (accessed 09:09, Nov 29, 2023)
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) = 2.94 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 317.61 (Adapted Stein & Brown method) Melting Pt (deg C): 94.87 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.000161 (Modified Grain method) Subcooled liquid VP: 0.000762 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): 165.1 log Kow used: 2.94 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 4803.9 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.04E-007 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.352E-007 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.94 (KowWin est) Log Kaw used: -5.371 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 8.311 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6865 Biowin2 (Non-Linear Model) : 0.7980 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.5278 (weeks-months) Biowin4 (Primary Survey Model) : 3.6353 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4734 Biowin6 (MITI Non-Linear Model): 0.4086 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.8654 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): 0.102 Pa (0.000762 mm Hg) Log Koa (Koawin est ): 8.311 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 2.95E-005 Octanol/air (Koa) model: 5.02E-005 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.00107 Mackay model : 0.00236 Octanol/air (Koa) model: 0.004 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 21.4031 E-12 cm3/molecule-sec Half-Life = 0.500 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 5.997 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.00171 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 745.7 Log Koc: 2.873 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 = 1.560 (BCF = 36.34) log Kow used: 2.94 (estimated) Volatilization from Water: Henry LC: 1.04E-007 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 7623 hours (317.6 days) Half-Life from Model Lake : 8.328E+004 hours (3470 days) Removal In Wastewater Treatment: Total removal: 5.22 percent Total biodegradation: 0.12 percent Total sludge adsorption: 5.09 percent Total to Air: 0.01 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.298 12 1000 Water 17.3 900 1000 Soil 82.1 1.8e+003 1000 Sediment 0.345 8.1e+003 0 Persistence Time: 1.21e+003 hr
Click to predict properties on the Chemicalize site
Advertisement
Spotlight