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N-(3,3-Diphenylpropyl)-2,4-dimethoxybenzamide
COc1ccc(c(c1)OC)C(=O)NCCC(c2ccccc2)c3ccccc3
InChI=1S/C24H25NO3/c1-27-20-13-14-22(23(17-20)28-2)24(26)25-16-15-21(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-14,17,21H,15-16H2,1-2H3,(H,25,26)
REXZXKNFDYLUPU-UHFFFAOYSA-N
CSID:865819, http://www.chemspider.com/Chemical-Structure.865819.html (accessed 22:44, Jun 15, 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) = 5.17 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 537.77 (Adapted Stein & Brown method) Melting Pt (deg C): 230.24 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.87E-011 (Modified Grain method) Subcooled liquid VP: 3E-009 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): 0.1653 log Kow used: 5.17 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.017771 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.95E-013 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 5.589E-011 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.17 (KowWin est) Log Kaw used: -11.098 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 16.268 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 1.3536 Biowin2 (Non-Linear Model) : 0.9999 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.1681 (months ) Biowin4 (Primary Survey Model) : 3.6069 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3089 Biowin6 (MITI Non-Linear Model): 0.1130 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.3685 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): 4E-007 Pa (3E-009 mm Hg) Log Koa (Koawin est ): 16.268 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 7.5 Octanol/air (Koa) model: 4.55E+003 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.996 Mackay model : 0.998 Octanol/air (Koa) model: 1 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 215.6686 E-12 cm3/molecule-sec Half-Life = 0.050 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.595 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.997 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 2.043E+005 Log Koc: 5.310 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 = 3.284 (BCF = 1924) log Kow used: 5.17 (estimated) Volatilization from Water: Henry LC: 1.95E-013 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 5.818E+009 hours (2.424E+008 days) Half-Life from Model Lake : 6.347E+010 hours (2.645E+009 days) Removal In Wastewater Treatment: Total removal: 82.41 percent Total biodegradation: 0.71 percent Total sludge adsorption: 81.70 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 0.000317 1.19 1000 Water 5.49 1.44e+003 1000 Soil 70.4 2.88e+003 1000 Sediment 24.2 1.3e+004 0 Persistence Time: 3.7e+003 hr
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