Try beta.chemspider
N-(Diphenylmethyl)-3,4,5-trimethoxybenzamide
COc1cc(cc(c1OC)OC)C(=O)NC(c2ccccc2)c3ccccc3
InChI=1S/C23H23NO4/c1-26-19-14-18(15-20(27-2)22(19)28-3)23(25)24-21(16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-15,21H,1-3H3,(H,24,25)
FWFCTQFGCHIIJZ-UHFFFAOYSA-N
CSID:1132406, http://www.chemspider.com/Chemical-Structure.1132406.html (accessed 11:18, May 10, 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) = 4.06 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 538.21 (Adapted Stein & Brown method) Melting Pt (deg C): 230.45 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.81E-011 (Modified Grain method) Subcooled liquid VP: 2.92E-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): 1.446 log Kow used: 4.06 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.099686 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 6.56E-015 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 6.216E-012 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.06 (KowWin est) Log Kaw used: -12.572 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 16.632 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 1.4299 Biowin2 (Non-Linear Model) : 1.0000 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.1805 (months ) Biowin4 (Primary Survey Model) : 3.7497 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3917 Biowin6 (MITI Non-Linear Model): 0.1475 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.1122 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): 3.89E-007 Pa (2.92E-009 mm Hg) Log Koa (Koawin est ): 16.632 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 7.71 Octanol/air (Koa) model: 1.05E+004 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 = 111.6636 E-12 cm3/molecule-sec Half-Life = 0.096 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.149 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 : 1.918E+005 Log Koc: 5.283 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 = 2.424 (BCF = 265.4) log Kow used: 4.06 (estimated) Volatilization from Water: Henry LC: 6.56E-015 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.734E+011 hours (7.225E+009 days) Half-Life from Model Lake : 1.892E+012 hours (7.882E+010 days) Removal In Wastewater Treatment: Total removal: 32.88 percent Total biodegradation: 0.34 percent Total sludge adsorption: 32.54 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 1.41e-005 2.3 1000 Water 8.41 1.44e+003 1000 Soil 88.7 2.88e+003 1000 Sediment 2.92 1.3e+004 0 Persistence Time: 2.94e+003 hr
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