Try beta.chemspider
- Double-bond stereo
(E,E)-N,N'-(Methylenedi-4,1-phenylene)bis[1-(4-methoxyphenyl)methanimine]
COc1ccc(cc1)/C=N/c2ccc(cc2)Cc3ccc(cc3)/N=C/c4ccc(cc4)OC
InChI=1S/C29H26N2O2/c1-32-28-15-7-24(8-16-28)20-30-26-11-3-22(4-12-26)19-23-5-13-27(14-6-23)31-21-25-9-17-29(33-2)18-10-25/h3-18,20-21H,19H2,1-2H3/b30-20+,31-21+
GCIPNLHNEJQENX-OQIGUVFWSA-N
CSID:1414768, http://www.chemspider.com/Chemical-Structure.1414768.html (accessed 14:38, May 4, 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) = 6.59 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 554.65 (Adapted Stein & Brown method) Melting Pt (deg C): 235.87 (Mean or Weighted MP) VP(mm Hg,25 deg C): 5.88E-012 (Modified Grain method) Subcooled liquid VP: 1.11E-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): 0.004357 log Kow used: 6.59 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.00012795 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Schiff Bases Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 5.60E-010 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 7.716E-010 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 6.59 (KowWin est) Log Kaw used: -7.640 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 14.230 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8592 Biowin2 (Non-Linear Model) : 0.8712 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.0478 (months ) Biowin4 (Primary Survey Model) : 3.3065 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.1331 Biowin6 (MITI Non-Linear Model): 0.0066 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.5495 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): 1.48E-007 Pa (1.11E-009 mm Hg) Log Koa (Koawin est ): 14.230 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 20.3 Octanol/air (Koa) model: 41.7 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.999 Mackay model : 0.999 Octanol/air (Koa) model: 1 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 68.8578 E-12 cm3/molecule-sec Half-Life = 0.155 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.864 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.999 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 9.066E+007 Log Koc: 7.957 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 = 4.377 (BCF = 2.385e+004) log Kow used: 6.59 (estimated) Volatilization from Water: Henry LC: 5.6E-010 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 2.179E+006 hours (9.081E+004 days) Half-Life from Model Lake : 2.378E+007 hours (9.907E+005 days) Removal In Wastewater Treatment: Total removal: 93.55 percent Total biodegradation: 0.78 percent Total sludge adsorption: 92.77 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 0.0316 3.73 1000 Water 1.8 1.44e+003 1000 Soil 34.1 2.88e+003 1000 Sediment 64.1 1.3e+004 0 Persistence Time: 4.59e+003 hr
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