N,N,N',N'-Tetraphenyl-4,4'-biphenyldiamine
c1ccc(cc1)N(c2ccccc2)c3ccc(cc3)c4ccc(cc4)N(c5ccccc5)c6ccccc6
InChI=1S/C36H28N2/c1-5-13-31(14-6-1)37(32-15-7-2-8-16-32)35-25-21-29(22-26-35)30-23-27-36(28-24-30)38(33-17-9-3-10-18-33)34-19-11-4-12-20-34/h1-28H
DCZNSJVFOQPSRV-UHFFFAOYSA-N
CSID:76660, http://www.chemspider.com/Chemical-Structure.76660.html (accessed 05:06, Apr 19, 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) = 9.88 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 643.90 (Adapted Stein & Brown method) Melting Pt (deg C): 279.82 (Mean or Weighted MP) VP(mm Hg,25 deg C): 7.94E-015 (Modified Grain method) Subcooled liquid VP: 5.19E-012 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): 3.082e-006 log Kow used: 9.88 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 4.8864e-007 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 4.17E-010 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.656E-009 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 9.88 (KowWin est) Log Kaw used: -7.768 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 17.648 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6168 Biowin2 (Non-Linear Model) : 0.2352 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.6978 (recalcitrant) Biowin4 (Primary Survey Model) : 2.5863 (weeks-months) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.6811 Biowin6 (MITI Non-Linear Model): 0.0001 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -3.1129 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): 6.92E-010 Pa (5.19E-012 mm Hg) Log Koa (Koawin est ): 17.648 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 4.34E+003 Octanol/air (Koa) model: 1.09E+005 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 = 200.0000 E-12 cm3/molecule-sec Half-Life = 0.053 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.642 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 : 7.538E+009 Log Koc: 9.877 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 = 0.862 (BCF = 7.281) log Kow used: 9.88 (estimated) Volatilization from Water: Henry LC: 4.17E-010 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 3.104E+006 hours (1.293E+005 days) Half-Life from Model Lake : 3.386E+007 hours (1.411E+006 days) Removal In Wastewater Treatment: Total removal: 94.04 percent Total biodegradation: 0.78 percent Total sludge adsorption: 93.26 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 0.0053 1.28 1000 Water 0.74 4.32e+003 1000 Soil 40.1 8.64e+003 1000 Sediment 59.2 3.89e+004 0 Persistence Time: 1.08e+004 hr
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