Try beta.chemspider
N'~1~,N'~1~,N'~4~,N'~4~-Tetraphenylterephthalohydrazide
c1ccc(cc1)N(c2ccccc2)NC(=O)c3ccc(cc3)C(=O)NN(c4ccccc4)c5ccccc5
InChI=1S/C32H26N4O2/c37-31(33-35(27-13-5-1-6-14-27)28-15-7-2-8-16-28)25-21-23-26(24-22-25)32(38)34-36(29-17-9-3-10-18-29)30-19-11-4-12-20-30/h1-24H,(H,33,37)(H,34,38)
OFYLAMPTQAQHOI-UHFFFAOYSA-N
CSID:211271, http://www.chemspider.com/Chemical-Structure.211271.html (accessed 18:49, May 21, 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) = 6.91 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 761.34 (Adapted Stein & Brown method) Melting Pt (deg C): 334.68 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.14E-018 (Modified Grain method) Subcooled liquid VP: 3.7E-015 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): 0.000925 log Kow used: 6.91 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.053247 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Hydrazines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.03E-016 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 8.085E-016 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 6.91 (KowWin est) Log Kaw used: -14.081 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 20.991 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 1.0225 Biowin2 (Non-Linear Model) : 0.9579 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.1854 (months ) Biowin4 (Primary Survey Model) : 3.1480 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.9469 Biowin6 (MITI Non-Linear Model): 0.0000 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.5815 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): 4.93E-013 Pa (3.7E-015 mm Hg) Log Koa (Koawin est ): 20.991 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 6.08E+006 Octanol/air (Koa) model: 2.4E+008 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 = 61.4153 E-12 cm3/molecule-sec Half-Life = 0.174 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 2.090 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 : 2.412E+007 Log Koc: 7.382 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 = 4.618 (BCF = 4.147e+004) log Kow used: 6.91 (estimated) Volatilization from Water: Henry LC: 2.03E-016 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 6.44E+012 hours (2.683E+011 days) Half-Life from Model Lake : 7.026E+013 hours (2.927E+012 days) Removal In Wastewater Treatment: Total removal: 93.80 percent Total biodegradation: 0.78 percent Total sludge adsorption: 93.02 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 0.0308 4.18 1000 Water 1.54 1.44e+003 1000 Soil 34 2.88e+003 1000 Sediment 64.4 1.3e+004 0 Persistence Time: 4.85e+003 hr
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