1-Chloro-9H-carbazole
c1ccc2c(c1)c3cccc(c3[nH]2)Cl
InChI=1S/C12H8ClN/c13-10-6-3-5-9-8-4-1-2-7-11(8)14-12(9)10/h1-7,14H
DBDCPKPHHCECLZ-UHFFFAOYSA-N
CSID:10219577, http://www.chemspider.com/Chemical-Structure.10219577.html (accessed 22:23, Apr 19, 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) = 3.94 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 336.67 (Adapted Stein & Brown method) Melting Pt (deg C): 113.79 (Mean or Weighted MP) VP(mm Hg,25 deg C): 3.63E-005 (Modified Grain method) Subcooled liquid VP: 0.000273 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): 1.45 log Kow used: 3.94 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 5.1764 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.71E-007 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 6.643E-006 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.94 (KowWin est) Log Kaw used: -4.955 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 8.895 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.2354 Biowin2 (Non-Linear Model) : 0.0224 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.4120 (weeks-months) Biowin4 (Primary Survey Model) : 3.2831 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.0182 Biowin6 (MITI Non-Linear Model): 0.0198 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.5120 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): 0.0364 Pa (0.000273 mm Hg) Log Koa (Koawin est ): 8.895 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 8.24E-005 Octanol/air (Koa) model: 0.000193 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.00297 Mackay model : 0.00655 Octanol/air (Koa) model: 0.0152 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 122.8260 E-12 cm3/molecule-sec Half-Life = 0.087 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.045 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.00476 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 3120 Log Koc: 3.494 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 = 2.331 (BCF = 214.1) log Kow used: 3.94 (estimated) Volatilization from Water: Henry LC: 2.71E-007 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 3069 hours (127.9 days) Half-Life from Model Lake : 3.36E+004 hours (1400 days) Removal In Wastewater Treatment: Total removal: 27.41 percent Total biodegradation: 0.30 percent Total sludge adsorption: 27.10 percent Total to Air: 0.01 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.0858 2.09 1000 Water 17 900 1000 Soil 79.5 1.8e+003 1000 Sediment 3.48 8.1e+003 0 Persistence Time: 1.11e+003 hr
Click to predict properties on the Chemicalize site
Advertisement
Spotlight