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1,1-Diphenyl-N-(1-phenyl-3-buten-1-yl)methanimine
N(=C(\c1ccccc1)c2ccccc2)\C(c3ccccc3)C\C=C
InChI=1S/C23H21N/c1-2-12-22(19-13-6-3-7-14-19)24-23(20-15-8-4-9-16-20)21-17-10-5-11-18-21/h2-11,13-18,22H,1,12H2
OSSDQZGYBSNNQS-UHFFFAOYSA-N
CSID:8956670, http://www.chemspider.com/Chemical-Structure.8956670.html (accessed 01:51, Jul 6, 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) = 6.75 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 418.59 (Adapted Stein & Brown method) Melting Pt (deg C): 126.28 (Mean or Weighted MP) VP(mm Hg,25 deg C): 2.86E-007 (Modified Grain method) Subcooled liquid VP: 2.93E-006 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): 0.01821 log Kow used: 6.75 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.00013308 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Schiff Bases Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 4.45E-006 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 6.436E-006 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 6.75 (KowWin est) Log Kaw used: -3.740 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 10.490 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.9836 Biowin2 (Non-Linear Model) : 0.9817 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.5770 (weeks-months) Biowin4 (Primary Survey Model) : 3.4131 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.0329 Biowin6 (MITI Non-Linear Model): 0.0201 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.1023 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): 0.000391 Pa (2.93E-006 mm Hg) Log Koa (Koawin est ): 10.490 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.00768 Octanol/air (Koa) model: 0.00759 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.217 Mackay model : 0.381 Octanol/air (Koa) model: 0.378 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 43.0525 E-12 cm3/molecule-sec Half-Life = 0.248 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 2.981 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 1.200000 E-17 cm3/molecule-sec Half-Life = 0.955 Days (at 7E11 mol/cm3) Half-Life = 22.920 Hrs Fraction sorbed to airborne particulates (phi): 0.299 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 8.728E+006 Log Koc: 6.941 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 = 4.495 (BCF = 3.126e+004) log Kow used: 6.75 (estimated) Volatilization from Water: Henry LC: 4.45E-006 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 234 hours (9.749 days) Half-Life from Model Lake : 2701 hours (112.5 days) Removal In Wastewater Treatment: Total removal: 93.70 percent Total biodegradation: 0.78 percent Total sludge adsorption: 92.92 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 0.068 4.73 1000 Water 2.32 900 1000 Soil 30.2 1.8e+003 1000 Sediment 67.4 8.1e+003 0 Persistence Time: 2.99e+003 hr
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