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- Double-bond stereo
N'-[(1E)-2-Oxo-3,3-diphenyl-2,3-dihydro-1H-inden-1-ylidene]benzohydrazide
O=C(c1ccccc1)N/N=C5\c2ccccc2C(c3ccccc3)(c4ccccc4)C5=O
InChI=1S/C28H20N2O2/c31-26-25(29-30-27(32)20-12-4-1-5-13-20)23-18-10-11-19-24(23)28(26,21-14-6-2-7-15-21)22-16-8-3-9-17-22/h1-19H,(H,30,32)/b29-25+
PKIWRWABRGQGJX-XLVZBRSZSA-N
CSID:4825805, http://www.chemspider.com/Chemical-Structure.4825805.html (accessed 17:37, Jul 3, 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) = 5.63 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 624.96 (Adapted Stein & Brown method) Melting Pt (deg C): 270.97 (Mean or Weighted MP) VP(mm Hg,25 deg C): 3.23E-014 (Modified Grain method) Subcooled liquid VP: 1.64E-011 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): 0.0377 log Kow used: 5.63 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.0036007 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Hydrazines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.53E-014 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 4.695E-013 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.63 (KowWin est) Log Kaw used: -12.204 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 17.834 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7564 Biowin2 (Non-Linear Model) : 0.5783 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.1102 (months ) Biowin4 (Primary Survey Model) : 3.0859 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.1854 Biowin6 (MITI Non-Linear Model): 0.0025 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.0487 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): 2.19E-009 Pa (1.64E-011 mm Hg) Log Koa (Koawin est ): 17.834 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.37E+003 Octanol/air (Koa) model: 1.67E+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 = 21.0225 E-12 cm3/molecule-sec Half-Life = 0.509 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 6.105 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 : 3.443E+006 Log Koc: 6.537 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 = 3.634 (BCF = 4309) log Kow used: 5.63 (estimated) Volatilization from Water: Henry LC: 1.53E-014 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 7.809E+010 hours (3.254E+009 days) Half-Life from Model Lake : 8.519E+011 hours (3.55E+010 days) Removal In Wastewater Treatment: Total removal: 89.71 percent Total biodegradation: 0.75 percent Total sludge adsorption: 88.96 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 0.00451 12.2 1000 Water 3.57 1.44e+003 1000 Soil 57.5 2.88e+003 1000 Sediment 38.9 1.3e+004 0 Persistence Time: 4.49e+003 hr
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