Try beta.chemspider
- Double-bond stereo
(E,E)-N,N'-4,4'-Biphenyldiylbis[1-(4-ethoxyphenyl)methanimine]
CCOc1ccc(cc1)/C=N/c2ccc(cc2)c3ccc(cc3)/N=C/c4ccc(cc4)OCC
InChI=1S/C30H28N2O2/c1-3-33-29-17-5-23(6-18-29)21-31-27-13-9-25(10-14-27)26-11-15-28(16-12-26)32-22-24-7-19-30(20-8-24)34-4-2/h5-22H,3-4H2,1-2H3/b31-21+,32-22+
OFNDXGZORJDPCN-RWRHWQIFSA-N
CSID:1649399, http://www.chemspider.com/Chemical-Structure.1649399.html (accessed 04:55, May 6, 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) = 7.32 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 580.34 (Adapted Stein & Brown method) Melting Pt (deg C): 250.13 (Mean or Weighted MP) VP(mm Hg,25 deg C): 8.54E-013 (Modified Grain method) Subcooled liquid VP: 2.4E-010 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): 0.0008567 log Kow used: 7.32 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 3.8355e-005 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Schiff Bases Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 8.51E-010 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 5.884E-010 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 7.32 (KowWin est) Log Kaw used: -7.459 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 14.779 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7978 Biowin2 (Non-Linear Model) : 0.7569 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.0917 (months ) Biowin4 (Primary Survey Model) : 3.3548 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.0203 Biowin6 (MITI Non-Linear Model): 0.0117 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.3758 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): 3.2E-008 Pa (2.4E-010 mm Hg) Log Koa (Koawin est ): 14.779 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 93.8 Octanol/air (Koa) model: 148 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 = 75.4133 E-12 cm3/molecule-sec Half-Life = 0.142 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.702 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 : 1.707E+008 Log Koc: 8.232 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 = 4.375 (BCF = 2.369e+004) log Kow used: 7.32 (estimated) Volatilization from Water: Henry LC: 8.51E-010 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.457E+006 hours (6.071E+004 days) Half-Life from Model Lake : 1.59E+007 hours (6.623E+005 days) Removal In Wastewater Treatment: Total removal: 93.94 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 0.0284 3.4 1000 Water 1.44 1.44e+003 1000 Soil 32 2.88e+003 1000 Sediment 66.5 1.3e+004 0 Persistence Time: 4.81e+003 hr
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