Try beta.chemspider
- Double-bond stereo
(E,E)-N,N'-(3,3'-Dimethyl-4,4'-biphenyldiyl)bis(1-phenylmethanimine)
Cc1c(ccc(c1)c2cc(c(cc2)/N=C/c3ccccc3)C)/N=C/c4ccccc4
InChI=1S/C28H24N2/c1-21-17-25(13-15-27(21)29-19-23-9-5-3-6-10-23)26-14-16-28(22(2)18-26)30-20-24-11-7-4-8-12-24/h3-20H,1-2H3/b29-19+,30-20+
PRHMEWBJVZJBEX-CZYCKNNWSA-N
CSID:1634779, http://www.chemspider.com/Chemical-Structure.1634779.html (accessed 07:05, Jul 9, 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) = 7.27 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 533.02 (Adapted Stein & Brown method) Melting Pt (deg C): 214.62 (Mean or Weighted MP) VP(mm Hg,25 deg C): 3.8E-011 (Modified Grain method) Subcooled liquid VP: 3.97E-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): 0.002238 log Kow used: 7.27 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.00015831 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Schiff Bases Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.68E-007 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 8.680E-009 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 7.27 (KowWin est) Log Kaw used: -5.163 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 12.433 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.9281 Biowin2 (Non-Linear Model) : 0.9041 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.2349 (months ) Biowin4 (Primary Survey Model) : 3.1599 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.2488 Biowin6 (MITI Non-Linear Model): 0.0036 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.9318 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): 5.29E-007 Pa (3.97E-009 mm Hg) Log Koa (Koawin est ): 12.433 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 5.67 Octanol/air (Koa) model: 0.665 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.995 Mackay model : 0.998 Octanol/air (Koa) model: 0.982 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 32.8051 E-12 cm3/molecule-sec Half-Life = 0.326 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 3.913 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.996 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 2.707E+008 Log Koc: 8.433 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 = 4.442 (BCF = 2.769e+004) log Kow used: 7.27 (estimated) Volatilization from Water: Henry LC: 1.68E-007 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 6871 hours (286.3 days) Half-Life from Model Lake : 7.512E+004 hours (3130 days) Removal In Wastewater Treatment: Total removal: 93.93 percent Total biodegradation: 0.78 percent Total sludge adsorption: 93.15 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 0.0522 7.82 1000 Water 1.42 1.44e+003 1000 Soil 33.7 2.88e+003 1000 Sediment 64.8 1.3e+004 0 Persistence Time: 4.97e+003 hr
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