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N-(2,5-Dimethylphenyl)-4-(2-methyl-2-propanyl)benzamide
Cc1ccc(c(c1)NC(=O)c2ccc(cc2)C(C)(C)C)C
InChI=1S/C19H23NO/c1-13-6-7-14(2)17(12-13)20-18(21)15-8-10-16(11-9-15)19(3,4)5/h6-12H,1-5H3,(H,20,21)
AMGGBPRSQDVIOE-UHFFFAOYSA-N
CSID:630599, http://www.chemspider.com/Chemical-Structure.630599.html (accessed 04:58, Apr 24, 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) = 5.14 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 436.50 (Adapted Stein & Brown method) Melting Pt (deg C): 180.43 (Mean or Weighted MP) VP(mm Hg,25 deg C): 2.56E-008 (Modified Grain method) Subcooled liquid VP: 1.06E-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): 0.6407 log Kow used: 5.14 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.087959 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.84E-009 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.479E-008 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.14 (KowWin est) Log Kaw used: -6.804 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 11.944 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7491 Biowin2 (Non-Linear Model) : 0.7568 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.1613 (months ) Biowin4 (Primary Survey Model) : 3.3567 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2109 Biowin6 (MITI Non-Linear Model): 0.0574 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.7163 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): 0.000141 Pa (1.06E-006 mm Hg) Log Koa (Koawin est ): 11.944 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.0212 Octanol/air (Koa) model: 0.216 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.434 Mackay model : 0.629 Octanol/air (Koa) model: 0.945 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 44.4254 E-12 cm3/molecule-sec Half-Life = 0.241 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 2.889 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.532 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 6938 Log Koc: 3.841 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 = 3.258 (BCF = 1812) log Kow used: 5.14 (estimated) Volatilization from Water: Henry LC: 3.84E-009 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 2.558E+005 hours (1.066E+004 days) Half-Life from Model Lake : 2.79E+006 hours (1.163E+005 days) Removal In Wastewater Treatment: Total removal: 81.68 percent Total biodegradation: 0.70 percent Total sludge adsorption: 80.97 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 0.0218 5.78 1000 Water 6.06 1.44e+003 1000 Soil 68.9 2.88e+003 1000 Sediment 25 1.3e+004 0 Persistence Time: 3.31e+003 hr
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