Try beta.chemspider
N-(Diphenylacetyl)-2,4,6-trimethyl-N-(4-methylphenyl)benzamide
Cc1ccc(cc1)N(C(=O)c2c(cc(cc2C)C)C)C(=O)C(c3ccccc3)c4ccccc4
InChI=1S/C31H29NO2/c1-21-15-17-27(18-16-21)32(30(33)28-23(3)19-22(2)20-24(28)4)31(34)29(25-11-7-5-8-12-25)26-13-9-6-10-14-26/h5-20,29H,1-4H3
KFKRYRQSEOINTF-UHFFFAOYSA-N
CSID:305830, http://www.chemspider.com/Chemical-Structure.305830.html (accessed 14:22, Aug 1, 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) = 6.92 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 625.69 (Adapted Stein & Brown method) Melting Pt (deg C): 271.31 (Mean or Weighted MP) VP(mm Hg,25 deg C): 3.06E-014 (Modified Grain method) Subcooled liquid VP: 1.57E-011 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): 0.001896 log Kow used: 6.92 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 4.2724e-006 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Imides Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 5.66E-010 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 9.505E-012 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 6.92 (KowWin est) Log Kaw used: -7.636 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 14.556 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 1.0640 Biowin2 (Non-Linear Model) : 0.9584 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.8798 (months ) Biowin4 (Primary Survey Model) : 2.8691 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.3318 Biowin6 (MITI Non-Linear Model): 0.0009 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.8229 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): 2.09E-009 Pa (1.57E-011 mm Hg) Log Koa (Koawin est ): 14.556 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.43E+003 Octanol/air (Koa) model: 88.3 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1 Mackay model : 1 Octanol/air (Koa) model: 1 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 58.0960 E-12 cm3/molecule-sec Half-Life = 0.184 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 2.209 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 1 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 3.433E+006 Log Koc: 6.536 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 = 4.629 (BCF = 4.258e+004) log Kow used: 6.92 (estimated) Volatilization from Water: Henry LC: 5.66E-010 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 2.188E+006 hours (9.118E+004 days) Half-Life from Model Lake : 2.387E+007 hours (9.947E+005 days) Removal In Wastewater Treatment: Total removal: 93.81 percent Total biodegradation: 0.78 percent Total sludge adsorption: 93.03 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 0.0356 4.42 1000 Water 1.56 1.44e+003 1000 Soil 33.1 2.88e+003 1000 Sediment 65.3 1.3e+004 0 Persistence Time: 4.76e+003 hr
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