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- Double-bond stereo
N-{3-[(1Z)-N-(4-Biphenylylcarbonyl)ethanehydrazonoyl]phenyl}-2-phenoxyacetamide
C/C(=N/NC(=O)c1ccc(cc1)c2ccccc2)/c3cccc(c3)NC(=O)COc4ccccc4
InChI=1S/C29H25N3O3/c1-21(31-32-29(34)24-17-15-23(16-18-24)22-9-4-2-5-10-22)25-11-8-12-26(19-25)30-28(33)20-35-27-13-6-3-7-14-27/h2-19H,20H2,1H3,(H,30,33)(H,32,34)/b31-21-
QINBFUPYCPNUII-YQYKVWLJSA-N
CSID:12525312, http://www.chemspider.com/Chemical-Structure.12525312.html (accessed 02:04, Jul 4, 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) = 6.54 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 729.21 (Adapted Stein & Brown method) Melting Pt (deg C): 319.66 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.31E-017 (Modified Grain method) Subcooled liquid VP: 2.74E-014 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): 0.003186 log Kow used: 6.54 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.0019562 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Hydrazines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.71E-015 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.508E-015 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 6.54 (KowWin est) Log Kaw used: -12.955 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 19.495 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 1.1251 Biowin2 (Non-Linear Model) : 0.9931 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.1065 (months ) Biowin4 (Primary Survey Model) : 3.4713 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.1473 Biowin6 (MITI Non-Linear Model): 0.0024 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.8887 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): 3.65E-012 Pa (2.74E-014 mm Hg) Log Koa (Koawin est ): 19.495 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 8.21E+005 Octanol/air (Koa) model: 7.67E+006 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 = 65.2748 E-12 cm3/molecule-sec Half-Life = 0.164 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.966 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 : 1.879E+006 Log Koc: 6.274 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 = 4.335 (BCF = 2.162e+004) log Kow used: 6.54 (estimated) Volatilization from Water: Henry LC: 2.71E-015 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 4.651E+011 hours (1.938E+010 days) Half-Life from Model Lake : 5.074E+012 hours (2.114E+011 days) Removal In Wastewater Treatment: Total removal: 93.49 percent Total biodegradation: 0.78 percent Total sludge adsorption: 92.71 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 0.0319 3.93 1000 Water 1.83 1.44e+003 1000 Soil 34.9 2.88e+003 1000 Sediment 63.2 1.3e+004 0 Persistence Time: 4.61e+003 hr
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