Try beta.chemspider
2,2'-[(3,3'-Dimethoxy-4,4'-biphenyldiyl)diimino]dibenzoic acid
COc1cc(ccc1Nc2ccccc2C(=O)O)c3ccc(c(c3)OC)Nc4ccccc4C(=O)O
InChI=1S/C28H24N2O6/c1-35-25-15-17(11-13-23(25)29-21-9-5-3-7-19(21)27(31)32)18-12-14-24(26(16-18)36-2)30-22-10-6-4-8-20(22)28(33)34/h3-16,29-30H,1-2H3,(H,31,32)(H,33,34)
IQZIRNIZQHVBMB-UHFFFAOYSA-N
CSID:65458, http://www.chemspider.com/Chemical-Structure.65458.html (accessed 19:02, 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) = 8.30 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 708.59 (Adapted Stein & Brown method) Melting Pt (deg C): 310.04 (Mean or Weighted MP) VP(mm Hg,25 deg C): 6.24E-017 (Modified Grain method) Subcooled liquid VP: 9.82E-014 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): 7.337e-005 log Kow used: 8.30 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 2.412e-005 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics-acid Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.23E-023 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 5.422E-013 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 8.30 (KowWin est) Log Kaw used: -21.040 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 29.340 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6669 Biowin2 (Non-Linear Model) : 0.8397 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.9181 (months ) Biowin4 (Primary Survey Model) : 3.1017 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2156 Biowin6 (MITI Non-Linear Model): 0.0094 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.3275 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): 1.31E-011 Pa (9.82E-014 mm Hg) Log Koa (Koawin est ): 29.340 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 2.29E+005 Octanol/air (Koa) model: 5.37E+016 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 = 202.6992 E-12 cm3/molecule-sec Half-Life = 0.053 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.633 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 : 1.158E+006 Log Koc: 6.064 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 = 1.000 (BCF = 10) log Kow used: 8.30 (estimated) Volatilization from Water: Henry LC: 2.23E-023 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 5.779E+019 hours (2.408E+018 days) Half-Life from Model Lake : 6.304E+020 hours (2.627E+019 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 1.07e-009 1.27 1000 Water 1.15 1.44e+003 1000 Soil 42.1 2.88e+003 1000 Sediment 56.7 1.3e+004 0 Persistence Time: 6.24e+003 hr
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