Try beta.chemspider
3,3'-[(2,4,6-Trimethoxyphenyl)methylene]bis(2-methyl-1H-indole)
Cc1c(c2ccccc2[nH]1)C(c3c([nH]c4c3cccc4)C)c5c(cc(cc5OC)OC)OC
InChI=1S/C28H28N2O3/c1-16-25(19-10-6-8-12-21(19)29-16)28(26-17(2)30-22-13-9-7-11-20(22)26)27-23(32-4)14-18(31-3)15-24(27)33-5/h6-15,28-30H,1-5H3
VGORYOMKFGYHCH-UHFFFAOYSA-N
CSID:2196860, http://www.chemspider.com/Chemical-Structure.2196860.html (accessed 15:02, Apr 26, 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) = 7.34 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 599.02 (Adapted Stein & Brown method) Melting Pt (deg C): 258.85 (Mean or Weighted MP) VP(mm Hg,25 deg C): 2.18E-013 (Modified Grain method) Subcooled liquid VP: 7.82E-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): 7.106e-005 log Kow used: 7.34 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 3.6911e-005 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.64E-016 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.778E-009 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 7.34 (KowWin est) Log Kaw used: -13.967 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 21.307 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 1.0976 Biowin2 (Non-Linear Model) : 0.9947 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.8267 (months ) Biowin4 (Primary Survey Model) : 3.2379 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.1438 Biowin6 (MITI Non-Linear Model): 0.0165 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.6478 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): 1.04E-008 Pa (7.82E-011 mm Hg) Log Koa (Koawin est ): 21.307 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 288 Octanol/air (Koa) model: 4.98E+008 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 = 404.7008 E-12 cm3/molecule-sec Half-Life = 0.026 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 19.029 Min 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 : 7.584E+007 Log Koc: 7.880 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 = 4.340 (BCF = 2.186e+004) log Kow used: 7.34 (estimated) Volatilization from Water: Henry LC: 2.64E-016 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 4.655E+012 hours (1.94E+011 days) Half-Life from Model Lake : 5.078E+013 hours (2.116E+012 days) Removal In Wastewater Treatment: Total removal: 93.95 percent Total biodegradation: 0.78 percent Total sludge adsorption: 93.17 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 1.17e-005 0.634 1000 Water 1.22 1.44e+003 1000 Soil 42.5 2.88e+003 1000 Sediment 56.3 1.3e+004 0 Persistence Time: 6.18e+003 hr
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