Try beta.chemspider
(1-Methyl-2-phenyl-1H-indol-3-yl)(phenyl)methanone
CN1C2=CC=CC=C2C(=C1C3=CC=CC=C3)C(=O)C4=CC=CC=C4
InChI=1S/C22H17NO/c1-23-19-15-9-8-14-18(19)20(21(23)16-10-4-2-5-11-16)22(24)17-12-6-3-7-13-17/h2-15H,1H3
QZJDCNMYGQGWNP-UHFFFAOYSA-N
CSID:9740608, http://www.chemspider.com/Chemical-Structure.9740608.html (accessed 07:08, Jul 9, 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) = 5.52 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 476.35 (Adapted Stein & Brown method) Melting Pt (deg C): 193.54 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.84E-009 (Modified Grain method) Subcooled liquid VP: 1.08E-007 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): 0.2033 log Kow used: 5.52 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.11786 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 5.23E-010 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 3.708E-009 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.52 (KowWin est) Log Kaw used: -7.670 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 13.190 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8623 Biowin2 (Non-Linear Model) : 0.8497 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.5326 (weeks-months) Biowin4 (Primary Survey Model) : 3.3860 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.0190 Biowin6 (MITI Non-Linear Model): 0.0193 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.5350 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): 1.44E-005 Pa (1.08E-007 mm Hg) Log Koa (Koawin est ): 13.190 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.208 Octanol/air (Koa) model: 3.8 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.883 Mackay model : 0.943 Octanol/air (Koa) model: 0.997 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 111.6467 E-12 cm3/molecule-sec Half-Life = 0.096 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.150 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.913 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 4.31E+005 Log Koc: 5.634 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 = 2.711 (BCF = 513.5) log Kow used: 5.52 (estimated) Volatilization from Water: Henry LC: 5.23E-010 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.975E+006 hours (8.231E+004 days) Half-Life from Model Lake : 2.155E+007 hours (8.979E+005 days) Removal In Wastewater Treatment: Total removal: 88.53 percent Total biodegradation: 0.75 percent Total sludge adsorption: 87.78 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 0.0186 2.3 1000 Water 5.93 900 1000 Soil 54.7 1.8e+003 1000 Sediment 39.3 8.1e+003 0 Persistence Time: 2.41e+003 hr
Click to predict properties on the Chemicalize site
Advertisement
Spotlight