Try beta.chemspider
7H-Dibenzo[c,g]carbazole
c1ccc2c(c1)ccc3c2c4c5ccccc5ccc4[nH]3
InChI=1S/C20H13N/c1-3-7-15-13(5-1)9-11-17-19(15)20-16-8-4-2-6-14(16)10-12-18(20)21-17/h1-12,21H
STJXCDGCXVZHDU-UHFFFAOYSA-N
CSID:8780, http://www.chemspider.com/Chemical-Structure.8780.html (accessed 00:55, Apr 25, 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) = 5.58 Log Kow (Exper. database match) = 6.40 Exper. Ref: Hansch,C et al. (1995) Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 481.98 (Adapted Stein & Brown method) Melting Pt (deg C): 196.51 (Mean or Weighted MP) VP(mm Hg,25 deg C): 3.4E-009 (Modified Grain method) MP (exp database): 158 deg C Subcooled liquid VP: 7.81E-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): 0.005027 log Kow used: 6.40 (expkow database) no-melting pt equation used Water Sol (Exper. database match) = 0.063 mg/L ( deg C) Exper. Ref: SMITH,JH ET AL. (1978) Water Sol (Exper. database match) = 0.0104 mg/L (25 deg C) Exper. Ref: BANWART,WL ET AL. (1982) Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.0071248 mg/L Wat Sol (Exper. database match) = 0.06 Exper. Ref: SMITH,JH ET AL. (1978) Wat Sol (Exper. database match) = 0.01 Exper. Ref: BANWART,WL ET AL. (1982) ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 8.24E-010 atm-m3/mole Group Method: 2.45E-009 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 2.379E-007 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 6.40 (exp database) Log Kaw used: -7.473 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 13.873 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : -0.0370 Biowin2 (Non-Linear Model) : 0.0000 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.8091 (months ) Biowin4 (Primary Survey Model) : 2.7598 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.0154 Biowin6 (MITI Non-Linear Model): 0.0230 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.3091 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): 1.04E-005 Pa (7.81E-008 mm Hg) Log Koa (Koawin est ): 13.873 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.288 Octanol/air (Koa) model: 18.3 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.912 Mackay model : 0.958 Octanol/air (Koa) model: 0.999 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 50.0035 E-12 cm3/molecule-sec Half-Life = 0.214 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 2.567 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.935 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.451E+006 Log Koc: 6.162 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 = 4.228 (BCF = 1.69e+004) log Kow used: 6.40 (expkow database) Volatilization from Water: Henry LC: 2.45E-009 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 3.907E+005 hours (1.628E+004 days) Half-Life from Model Lake : 4.263E+006 hours (1.776E+005 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 0.02 5.13 1000 Water 1.85 1.44e+003 1000 Soil 41 2.88e+003 1000 Sediment 57.2 1.3e+004 0 Persistence Time: 5.08e+003 hr
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