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7,14-Dimethylbenzo[m]tetraphene
Cc1c2ccc3ccccc3c2c(c4c1ccc5c4cccc5)C
InChI=1S/C24H18/c1-15-19-13-11-17-7-3-5-9-21(17)23(19)16(2)24-20(15)14-12-18-8-4-6-10-22(18)24/h3-14H,1-2H3
BSSDJTZAIHVWAM-UHFFFAOYSA-N
CSID:111253, http://www.chemspider.com/Chemical-Structure.111253.html (accessed 12:32, May 11, 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) = 7.79 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 493.29 (Adapted Stein & Brown method) Melting Pt (deg C): 200.87 (Mean or Weighted MP) VP(mm Hg,25 deg C): 5.65E-010 (Modified Grain method) Subcooled liquid VP: 4.06E-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): 0.0001939 log Kow used: 7.79 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 4.6034e-005 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 5.96E-007 atm-m3/mole Group Method: 1.41E-007 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 1.175E-006 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 7.79 (KowWin est) Log Kaw used: -4.613 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 12.403 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.0537 Biowin2 (Non-Linear Model) : 0.0000 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.5730 (recalcitrant) Biowin4 (Primary Survey Model) : 2.5664 (weeks-months) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.0179 Biowin6 (MITI Non-Linear Model): 0.0139 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.0526 Ready Biodegradability Prediction: NO Hydrocarbon Biodegradation (BioHCwin v1.01): LOG BioHC Half-Life (days) : 2.5435 BioHC Half-Life (days) : 349.5097 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 5.41E-006 Pa (4.06E-008 mm Hg) Log Koa (Koawin est ): 12.403 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.554 Octanol/air (Koa) model: 0.621 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.952 Mackay model : 0.978 Octanol/air (Koa) model: 0.98 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 160.2831 E-12 cm3/molecule-sec Half-Life = 0.067 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.801 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.965 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 7.468E+006 Log Koc: 6.873 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 = 3.726 (BCF = 5315) log Kow used: 7.79 (estimated) Volatilization from Water: Henry LC: 1.41E-007 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 7270 hours (302.9 days) Half-Life from Model Lake : 7.946E+004 hours (3311 days) Removal In Wastewater Treatment: Total removal: 94.00 percent Total biodegradation: 0.78 percent Total sludge adsorption: 93.23 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 0.00651 1.6 1000 Water 0.753 4.32e+003 1000 Soil 40.4 8.64e+003 1000 Sediment 58.8 3.89e+004 0 Persistence Time: 1.08e+004 hr
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