Try beta.chemspider
2,4-Diphenyl-3-(phenylsulfonyl)quinoline
c1ccc(cc1)c2c3ccccc3nc(c2S(=O)(=O)c4ccccc4)c5ccccc5
InChI=1S/C27H19NO2S/c29-31(30,22-16-8-3-9-17-22)27-25(20-12-4-1-5-13-20)23-18-10-11-19-24(23)28-26(27)21-14-6-2-7-15-21/h1-19H
OMYZIQJYVRPGIS-UHFFFAOYSA-N
CSID:2834961, http://www.chemspider.com/Chemical-Structure.2834961.html (accessed 05:29, 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) = 6.28 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 625.66 (Adapted Stein & Brown method) Melting Pt (deg C): 271.30 (Mean or Weighted MP) VP(mm Hg,25 deg C): 3.06E-014 (Modified Grain method) Subcooled liquid VP: 1.57E-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): 0.009663 log Kow used: 6.28 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.00083727 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.88E-013 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.756E-012 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 6.28 (KowWin est) Log Kaw used: -11.114 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 17.394 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.9311 Biowin2 (Non-Linear Model) : 0.9184 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.3337 (weeks-months) Biowin4 (Primary Survey Model) : 3.2543 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.3857 Biowin6 (MITI Non-Linear Model): 0.0006 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.3225 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): 2.09E-009 Pa (1.57E-011 mm Hg) Log Koa (Koawin est ): 17.394 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.43E+003 Octanol/air (Koa) model: 6.08E+004 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 = 10.2695 E-12 cm3/molecule-sec Half-Life = 1.042 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 12.498 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 : 4.893E+007 Log Koc: 7.690 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 = 4.139 (BCF = 1.378e+004) log Kow used: 6.28 (estimated) Volatilization from Water: Henry LC: 1.88E-013 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 6.394E+009 hours (2.664E+008 days) Half-Life from Model Lake : 6.975E+010 hours (2.906E+009 days) Removal In Wastewater Treatment: Total removal: 93.04 percent Total biodegradation: 0.77 percent Total sludge adsorption: 92.27 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 0.0511 25 1000 Water 2.64 900 1000 Soil 43 1.8e+003 1000 Sediment 54.3 8.1e+003 0 Persistence Time: 3.46e+003 hr
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