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3-Cyclohexyl-N-(2-methylphenyl)propanamide
Cc1ccccc1NC(=O)CCC2CCCCC2
InChI=1S/C16H23NO/c1-13-7-5-6-10-15(13)17-16(18)12-11-14-8-3-2-4-9-14/h5-7,10,14H,2-4,8-9,11-12H2,1H3,(H,17,18)
IAPMPUJZGBXIKG-UHFFFAOYSA-N
CSID:702719, http://www.chemspider.com/Chemical-Structure.702719.html (accessed 17:31, Apr 23, 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) = 4.34 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 403.93 (Adapted Stein & Brown method) Melting Pt (deg C): 149.15 (Mean or Weighted MP) VP(mm Hg,25 deg C): 3.65E-007 (Modified Grain method) Subcooled liquid VP: 6.67E-006 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): 4.979 log Kow used: 4.34 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 4.6766 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.18E-008 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.367E-008 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.34 (KowWin est) Log Kaw used: -6.050 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 10.390 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8956 Biowin2 (Non-Linear Model) : 0.9423 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.5279 (weeks-months) Biowin4 (Primary Survey Model) : 3.6306 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3930 Biowin6 (MITI Non-Linear Model): 0.2745 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.9939 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): 0.000889 Pa (6.67E-006 mm Hg) Log Koa (Koawin est ): 10.390 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.00337 Octanol/air (Koa) model: 0.00603 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.109 Mackay model : 0.213 Octanol/air (Koa) model: 0.325 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 31.3742 E-12 cm3/molecule-sec Half-Life = 0.341 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 4.091 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.161 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 4897 Log Koc: 3.690 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 = 2.638 (BCF = 434.8) log Kow used: 4.34 (estimated) Volatilization from Water: Henry LC: 2.18E-008 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 4.207E+004 hours (1753 days) Half-Life from Model Lake : 4.591E+005 hours (1.913E+004 days) Removal In Wastewater Treatment: Total removal: 47.43 percent Total biodegradation: 0.46 percent Total sludge adsorption: 46.97 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 0.107 8.18 1000 Water 12.3 900 1000 Soil 81.1 1.8e+003 1000 Sediment 6.42 8.1e+003 0 Persistence Time: 1.57e+003 hr
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