Try beta.chemspider
N-(2,3-Dimethylphenyl)-9H-fluorene-2-sulfonamide
Cc1cccc(c1C)NS(=O)(=O)c2ccc-3c(c2)Cc4c3cccc4
InChI=1S/C21H19NO2S/c1-14-6-5-9-21(15(14)2)22-25(23,24)18-10-11-20-17(13-18)12-16-7-3-4-8-19(16)20/h3-11,13,22H,12H2,1-2H3
VAXHCLAPFAEVOT-UHFFFAOYSA-N
CSID:1244030, http://www.chemspider.com/Chemical-Structure.1244030.html (accessed 01:46, Jul 8, 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) = 5.61 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 492.29 (Adapted Stein & Brown method) Melting Pt (deg C): 209.00 (Mean or Weighted MP) VP(mm Hg,25 deg C): 4.8E-010 (Modified Grain method) Subcooled liquid VP: 4.3E-008 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): 0.1014 log Kow used: 5.61 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.078481 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 8.17E-008 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.177E-009 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.61 (KowWin est) Log Kaw used: -5.476 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 11.086 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7452 Biowin2 (Non-Linear Model) : 0.4447 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.2024 (months ) Biowin4 (Primary Survey Model) : 3.1380 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.2242 Biowin6 (MITI Non-Linear Model): 0.0021 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.9178 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): 5.73E-006 Pa (4.3E-008 mm Hg) Log Koa (Koawin est ): 11.086 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.523 Octanol/air (Koa) model: 0.0299 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.95 Mackay model : 0.977 Octanol/air (Koa) model: 0.705 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 358.6898 E-12 cm3/molecule-sec Half-Life = 0.030 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 21.470 Min Ozone Reaction: OVERALL Ozone Rate Constant = 14.460000 E-17 cm3/molecule-sec Half-Life = 0.079 Days (at 7E11 mol/cm3) Half-Life = 1.902 Hrs Fraction sorbed to airborne particulates (phi): 0.963 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.218E+005 Log Koc: 5.086 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 = 3.618 (BCF = 4151) log Kow used: 5.61 (estimated) Volatilization from Water: Henry LC: 8.17E-008 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.34E+004 hours (558.3 days) Half-Life from Model Lake : 1.463E+005 hours (6097 days) Removal In Wastewater Treatment: Total removal: 89.52 percent Total biodegradation: 0.75 percent Total sludge adsorption: 88.77 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 0.00779 0.52 1000 Water 4.75 1.44e+003 1000 Soil 45.3 2.88e+003 1000 Sediment 50 1.3e+004 0 Persistence Time: 3.12e+003 hr
Click to predict properties on the Chemicalize site
Advertisement
Spotlight