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4-(2-Methyl-2-propanyl)-N-(1-{2-[4-(2-methyl-2-propanyl)phenoxy]ethyl}-1H-benzimidazol-2-yl)benzamide
CC(C)(C)c1ccc(cc1)C(=O)Nc2nc3ccccc3n2CCOc4ccc(cc4)C(C)(C)C
InChI=1S/C30H35N3O2/c1-29(2,3)22-13-11-21(12-14-22)27(34)32-28-31-25-9-7-8-10-26(25)33(28)19-20-35-24-17-15-23(16-18-24)30(4,5)6/h7-18H,19-20H2,1-6H3,(H,31,32,34)
HPNKZZSUUZJBJR-UHFFFAOYSA-N
CSID:3071530, http://www.chemspider.com/Chemical-Structure.3071530.html (accessed 03:21, Apr 29, 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) = 8.60 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 675.29 (Adapted Stein & Brown method) Melting Pt (deg C): 294.48 (Mean or Weighted MP) VP(mm Hg,25 deg C): 7.63E-016 (Modified Grain method) Subcooled liquid VP: 7.63E-013 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): 5.064e-005 log Kow used: 8.60 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 4.8505e-005 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Imidazoles Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 6.79E-014 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 9.311E-012 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 8.60 (KowWin est) Log Kaw used: -11.557 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 20.157 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.4982 Biowin2 (Non-Linear Model) : 0.1028 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.6248 (recalcitrant) Biowin4 (Primary Survey Model) : 3.1458 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.0280 Biowin6 (MITI Non-Linear Model): 0.0037 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.7929 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): 1.02E-010 Pa (7.63E-013 mm Hg) Log Koa (Koawin est ): 20.157 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 2.95E+004 Octanol/air (Koa) model: 3.52E+007 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 = 240.9941 E-12 cm3/molecule-sec Half-Life = 0.044 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.533 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 : 3.974E+006 Log Koc: 6.599 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 = 2.618 (BCF = 415.1) log Kow used: 8.60 (estimated) Volatilization from Water: Henry LC: 6.79E-014 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.869E+010 hours (7.786E+008 days) Half-Life from Model Lake : 2.038E+011 hours (8.494E+009 days) Removal In Wastewater Treatment: Total removal: 94.03 percent Total biodegradation: 0.78 percent Total sludge adsorption: 93.25 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 0.00435 1.07 1000 Water 0.74 4.32e+003 1000 Soil 40.3 8.64e+003 1000 Sediment 58.9 3.89e+004 0 Persistence Time: 1.09e+004 hr
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