1,2-Dihydrocyclohepta[fg]acenaphthylene
c1cc2c3c(ccc4c3c1CC4)C=CC=C2
InChI=1S/C16H12/c1-2-4-12-6-8-14-10-9-13-7-5-11(3-1)15(12)16(13)14/h1-8H,9-10H2
QFYZOXTVASPGPA-UHFFFAOYSA-N
CSID:120116, http://www.chemspider.com/Chemical-Structure.120116.html (accessed 02:21, Apr 20, 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) = 4.98 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 315.85 (Adapted Stein & Brown method) Melting Pt (deg C): 91.07 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.000369 (Modified Grain method) Subcooled liquid VP: 0.0016 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): 0.6732 log Kow used: 4.98 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.23325 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : Incomplete Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.473E-004 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Can Not Estimate (can not calculate HenryLC) Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6503 Biowin2 (Non-Linear Model) : 0.5270 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.7478 (weeks-months) Biowin4 (Primary Survey Model) : 3.5530 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.1934 Biowin6 (MITI Non-Linear Model): 0.0647 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.0079 Ready Biodegradability Prediction: NO Hydrocarbon Biodegradation (BioHCwin v1.01): LOG BioHC Half-Life (days) : 1.7273 BioHC Half-Life (days) : 53.3716 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 0.213 Pa (0.0016 mm Hg) Log Koa (): not available Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.41E-005 Octanol/air (Koa) model: not available Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.000508 Mackay model : 0.00112 Octanol/air (Koa) model: not available Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 451.7571 E-12 cm3/molecule-sec Half-Life = 0.024 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 17.047 Min Ozone Reaction: OVERALL Ozone Rate Constant = 6.885000 E-17 cm3/molecule-sec Half-Life = 0.166 Days (at 7E11 mol/cm3) Half-Life = 3.995 Hrs Fraction sorbed to airborne particulates (phi): 0.000816 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 6.941E+004 Log Koc: 4.841 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 = 3.136 (BCF = 1366) log Kow used: 4.98 (estimated) Volatilization from Water: Henry LC: 0.000147 atm-m3/mole (calculated from VP/WS) Half-Life from Model River: 7.138 hours Half-Life from Model Lake : 197.7 hours (8.238 days) Removal In Wastewater Treatment: Total removal: 77.61 percent Total biodegradation: 0.66 percent Total sludge adsorption: 75.64 percent Total to Air: 1.30 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.0252 0.498 1000 Water 9.38 900 1000 Soil 70 1.8e+003 1000 Sediment 20.6 8.1e+003 0 Persistence Time: 1.23e+003 hr
Click to predict properties on the Chemicalize site
Advertisement
Spotlight