1,2-Dihydrocyclopenta[ij]tetraphen-3-ylmethanol
c1ccc2c(c1)ccc3c2cc4ccc(c5c4c3CC5)CO
InChI=1S/C21H16O/c22-12-15-6-5-14-11-20-16-4-2-1-3-13(16)7-8-18(20)19-10-9-17(15)21(14)19/h1-8,11,22H,9-10,12H2
ONZZUTGSANXYMB-UHFFFAOYSA-N
CSID:133175, http://www.chemspider.com/Chemical-Structure.133175.html (accessed 10:44, Mar 29, 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) = 5.59 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 481.72 (Adapted Stein & Brown method) Melting Pt (deg C): 199.47 (Mean or Weighted MP) VP(mm Hg,25 deg C): 9.73E-012 (Modified Grain method) Subcooled liquid VP: 6.73E-010 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): 0.0645 log Kow used: 5.59 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.040237 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Benzyl Alcohols Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.09E-010 atm-m3/mole Group Method: 2.45E-012 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 5.644E-011 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.59 (KowWin est) Log Kaw used: -8.351 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 13.941 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.2229 Biowin2 (Non-Linear Model) : 0.0001 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.7817 (months ) Biowin4 (Primary Survey Model) : 2.7276 (weeks-months) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.0658 Biowin6 (MITI Non-Linear Model): 0.0185 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.1409 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): 8.97E-008 Pa (6.73E-010 mm Hg) Log Koa (Koawin est ): 13.941 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 33.4 Octanol/air (Koa) model: 21.4 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.999 Mackay model : 1 Octanol/air (Koa) model: 0.999 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 204.8795 E-12 cm3/molecule-sec Half-Life = 0.052 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.626 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.999 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 7.603E+004 Log Koc: 4.881 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 = 2.951 (BCF = 893.3) log Kow used: 5.59 (estimated) Volatilization from Water: Henry LC: 2.45E-012 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 4.03E+008 hours (1.679E+007 days) Half-Life from Model Lake : 4.396E+009 hours (1.832E+008 days) Removal In Wastewater Treatment: Total removal: 89.31 percent Total biodegradation: 0.75 percent Total sludge adsorption: 88.56 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 0.00756 1.25 1000 Water 4.16 1.44e+003 1000 Soil 53.6 2.88e+003 1000 Sediment 42.2 1.3e+004 0 Persistence Time: 3.78e+003 hr
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