Try beta.chemspider
- Double-bond stereo
(E,E)-1,4-Phenylenebis[N-(2,4,5-trimethylphenyl)methanimine]
Cc1c(cc(c(c1)C)/N=C/c2ccc(cc2)/C=N/c3c(cc(c(c3)C)C)C)C
InChI=1S/C26H28N2/c1-17-11-21(5)25(13-19(17)3)27-15-23-7-9-24(10-8-23)16-28-26-14-20(4)18(2)12-22(26)6/h7-16H,1-6H3/b27-15+,28-16+
CPGDPLNDPONGJS-DPCVLPDWSA-N
CSID:2560221, http://www.chemspider.com/Chemical-Structure.2560221.html (accessed 02:48, 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) = 7.69 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 481.19 (Adapted Stein & Brown method) Melting Pt (deg C): 188.13 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.61E-009 (Modified Grain method) Subcooled liquid VP: 8.18E-008 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): 0.001286 log Kow used: 7.69 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.00031512 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Schiff Bases Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.25E-006 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 6.071E-007 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 7.69 (KowWin est) Log Kaw used: -3.877 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 11.567 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.9001 Biowin2 (Non-Linear Model) : 0.7753 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.9357 (months ) Biowin4 (Primary Survey Model) : 2.9049 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.0892 Biowin6 (MITI Non-Linear Model): 0.0083 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -2.0918 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): 1.09E-005 Pa (8.18E-008 mm Hg) Log Koa (Koawin est ): 11.567 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.275 Octanol/air (Koa) model: 0.0906 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.909 Mackay model : 0.957 Octanol/air (Koa) model: 0.879 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 46.0023 E-12 cm3/molecule-sec Half-Life = 0.233 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 2.790 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.933 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 5.139E+007 Log Koc: 7.711 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 = 3.860 (BCF = 7240) log Kow used: 7.69 (estimated) Volatilization from Water: Henry LC: 3.25E-006 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 347.8 hours (14.49 days) Half-Life from Model Lake : 3955 hours (164.8 days) Removal In Wastewater Treatment: Total removal: 94.00 percent Total biodegradation: 0.78 percent Total sludge adsorption: 93.22 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 0.0418 5.58 1000 Water 1.38 1.44e+003 1000 Soil 32.5 2.88e+003 1000 Sediment 66.1 1.3e+004 0 Persistence Time: 4.92e+003 hr
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