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2-Methyl-3-phenyl-N-(2,4,6-triisopropylphenyl)propanamide
CC(C)c1cc(c(c(c1)C(C)C)NC(=O)C(C)Cc2ccccc2)C(C)C
InChI=1S/C25H35NO/c1-16(2)21-14-22(17(3)4)24(23(15-21)18(5)6)26-25(27)19(7)13-20-11-9-8-10-12-20/h8-12,14-19H,13H2,1-7H3,(H,26,27)
MAWIXXLTKRRJSI-UHFFFAOYSA-N
CSID:2369413, http://www.chemspider.com/Chemical-Structure.2369413.html (accessed 01:47, Jul 4, 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) = 6.96 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 489.74 (Adapted Stein & Brown method) Melting Pt (deg C): 206.33 (Mean or Weighted MP) VP(mm Hg,25 deg C): 5.98E-010 (Modified Grain method) Subcooled liquid VP: 4.98E-008 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): 0.00567 log Kow used: 6.96 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.00078276 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 6.46E-009 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 5.073E-008 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 6.96 (KowWin est) Log Kaw used: -6.578 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 13.538 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 1.1304 Biowin2 (Non-Linear Model) : 0.9902 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.0597 (months ) Biowin4 (Primary Survey Model) : 3.2565 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.3240 Biowin6 (MITI Non-Linear Model): 0.0037 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.2704 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): 6.64E-006 Pa (4.98E-008 mm Hg) Log Koa (Koawin est ): 13.538 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.452 Octanol/air (Koa) model: 8.47 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.942 Mackay model : 0.973 Octanol/air (Koa) model: 0.999 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 31.2521 E-12 cm3/molecule-sec Half-Life = 0.342 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 4.107 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.958 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 6.147E+005 Log Koc: 5.789 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 = 4.659 (BCF = 4.565e+004) log Kow used: 6.96 (estimated) Volatilization from Water: Henry LC: 6.46E-009 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.733E+005 hours (7220 days) Half-Life from Model Lake : 1.891E+006 hours (7.877E+004 days) Removal In Wastewater Treatment: Total removal: 93.83 percent Total biodegradation: 0.78 percent Total sludge adsorption: 93.05 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 0.0479 8.21 1000 Water 1.49 1.44e+003 1000 Soil 35.4 2.88e+003 1000 Sediment 63.1 1.3e+004 0 Persistence Time: 5.03e+003 hr
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