2-Methyl-N-phenylpropanamide
CC(C)C(=O)Nc1ccccc1
InChI=1S/C10H13NO/c1-8(2)10(12)11-9-6-4-3-5-7-9/h3-8H,1-2H3,(H,11,12)
WDRCPKDLZOQCFU-UHFFFAOYSA-N
CSID:19246, http://www.chemspider.com/Chemical-Structure.19246.html (accessed 16:23, Apr 19, 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) = 2.01 Log Kow (Exper. database match) = 1.95 Exper. Ref: Hansch,C et al. (1995) Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 320.35 (Adapted Stein & Brown method) Melting Pt (deg C): 93.66 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.000143 (Modified Grain method) Subcooled liquid VP: 0.000658 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): 1430 log Kow used: 1.95 (expkow database) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1270.4 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.09E-008 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.148E-008 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.95 (exp database) Log Kaw used: -6.351 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 8.301 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 1.0081 Biowin2 (Non-Linear Model) : 0.9944 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.8063 (weeks ) Biowin4 (Primary Survey Model) : 3.8226 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3444 Biowin6 (MITI Non-Linear Model): 0.3185 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.3158 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): 0.0877 Pa (0.000658 mm Hg) Log Koa (Koawin est ): 8.301 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 3.42E-005 Octanol/air (Koa) model: 4.91E-005 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.00123 Mackay model : 0.00273 Octanol/air (Koa) model: 0.00391 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 14.9323 E-12 cm3/molecule-sec Half-Life = 0.716 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 8.596 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.00198 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 116.2 Log Koc: 2.065 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 = 0.802 (BCF = 6.331) log Kow used: 1.95 (expkow database) Volatilization from Water: Henry LC: 1.09E-008 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 6.862E+004 hours (2859 days) Half-Life from Model Lake : 7.487E+005 hours (3.12E+004 days) Removal In Wastewater Treatment: Total removal: 2.20 percent Total biodegradation: 0.10 percent Total sludge adsorption: 2.11 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 0.186 17.2 1000 Water 24.4 360 1000 Soil 75.4 720 1000 Sediment 0.0816 3.24e+003 0 Persistence Time: 653 hr
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