Try beta.chemspider
2-Methyl-7H-dibenzo[a,g]carbazole
Cc1ccc2ccc3c(c2c1)c4ccc5ccccc5c4[nH]3
InChI=1S/C21H15N/c1-13-6-7-15-9-11-19-20(18(15)12-13)17-10-8-14-4-2-3-5-16(14)21(17)22-19/h2-12,22H,1H3
IAQYOFNCAUPEBC-UHFFFAOYSA-N
CSID:41339, http://www.chemspider.com/Chemical-Structure.41339.html (accessed 23:30, Jun 3, 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) = 6.13 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 493.58 (Adapted Stein & Brown method) Melting Pt (deg C): 206.68 (Mean or Weighted MP) VP(mm Hg,25 deg C): 4.74E-010 (Modified Grain method) Subcooled liquid VP: 3.99E-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): 0.00711 log Kow used: 6.13 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.0022368 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 9.09E-010 atm-m3/mole Group Method: 2.62E-009 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 2.468E-008 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 6.13 (KowWin est) Log Kaw used: -7.430 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 13.560 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.0110 Biowin2 (Non-Linear Model) : 0.0000 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.7032 (recalcitrant) Biowin4 (Primary Survey Model) : 2.6710 (weeks-months) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.0070 Biowin6 (MITI Non-Linear Model): 0.0186 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.5854 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): 5.32E-006 Pa (3.99E-008 mm Hg) Log Koa (Koawin est ): 13.560 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.564 Octanol/air (Koa) model: 8.91 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.953 Mackay model : 0.978 Octanol/air (Koa) model: 0.999 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 130.6749 E-12 cm3/molecule-sec Half-Life = 0.082 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.982 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.966 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 2.35E+006 Log Koc: 6.371 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 = 4.020 (BCF = 1.048e+004) log Kow used: 6.13 (estimated) Volatilization from Water: Henry LC: 2.62E-009 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 3.748E+005 hours (1.562E+004 days) Half-Life from Model Lake : 4.089E+006 hours (1.704E+005 days) Removal In Wastewater Treatment: Total removal: 92.64 percent Total biodegradation: 0.77 percent Total sludge adsorption: 91.86 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 0.00811 1.96 1000 Water 1.34 4.32e+003 1000 Soil 48 8.64e+003 1000 Sediment 50.7 3.89e+004 0 Persistence Time: 9.74e+003 hr
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