Try beta.chemspider
4-Methyl-N-tritylbenzenesulfonamide
Cc1ccc(cc1)S(=O)(=O)NC(c2ccccc2)(c3ccccc3)c4ccccc4
InChI=1S/C26H23NO2S/c1-21-17-19-25(20-18-21)30(28,29)27-26(22-11-5-2-6-12-22,23-13-7-3-8-14-23)24-15-9-4-10-16-24/h2-20,27H,1H3
QZVOIGAQCUNKIG-UHFFFAOYSA-N
CSID:252310, http://www.chemspider.com/Chemical-Structure.252310.html (accessed 10:01, Apr 26, 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) = 6.40 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 554.46 (Adapted Stein & Brown method) Melting Pt (deg C): 238.04 (Mean or Weighted MP) VP(mm Hg,25 deg C): 5.59E-012 (Modified Grain method) Subcooled liquid VP: 1.12E-009 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): 0.008709 log Kow used: 6.40 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.00066266 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 5.38E-010 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 3.493E-010 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 6.40 (KowWin est) Log Kaw used: -7.658 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 14.058 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8057 Biowin2 (Non-Linear Model) : 0.8002 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.0644 (months ) Biowin4 (Primary Survey Model) : 3.0438 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.2529 Biowin6 (MITI Non-Linear Model): 0.0016 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.0285 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): 1.49E-007 Pa (1.12E-009 mm Hg) Log Koa (Koawin est ): 14.058 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 20.1 Octanol/air (Koa) model: 28.1 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.999 Mackay model : 0.999 Octanol/air (Koa) model: 1 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 14.1116 E-12 cm3/molecule-sec Half-Life = 0.758 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 9.096 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.999 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 2.092E+007 Log Koc: 7.321 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 = 4.225 (BCF = 1.678e+004) log Kow used: 6.40 (estimated) Volatilization from Water: Henry LC: 5.38E-010 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 2.213E+006 hours (9.221E+004 days) Half-Life from Model Lake : 2.414E+007 hours (1.006E+006 days) Removal In Wastewater Treatment: Total removal: 93.28 percent Total biodegradation: 0.77 percent Total sludge adsorption: 92.51 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 0.0841 18.2 1000 Water 1.91 1.44e+003 1000 Soil 39.1 2.88e+003 1000 Sediment 58.9 1.3e+004 0 Persistence Time: 4.85e+003 hr
Click to predict properties on the Chemicalize site
Advertisement
Spotlight