Try beta.chemspider
Tricyclo[6.2.0.0~3,6~]deca-1(8),2,6-triene
c1c2c(cc3c1CC3)CC2
InChI=1S/C10H10/c1-2-8-6-10-4-3-9(10)5-7(1)8/h5-6H,1-4H2
DSRWYKDJQBPSKP-UHFFFAOYSA-N
CSID:120816, http://www.chemspider.com/Chemical-Structure.120816.html (accessed 09:31, Apr 26, 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) = 3.96 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 205.47 (Adapted Stein & Brown method) Melting Pt (deg C): 25.49 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.249 (Modified Grain method) Subcooled liquid VP: 0.252 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): 38.3 log Kow used: 3.96 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 16.178 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.55E-003 atm-m3/mole Group Method: 1.34E-004 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 1.114E-003 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.96 (KowWin est) Log Kaw used: -1.198 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 5.158 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.9042 Biowin2 (Non-Linear Model) : 0.9698 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.6121 (weeks-months) Biowin4 (Primary Survey Model) : 3.3858 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.1185 Biowin6 (MITI Non-Linear Model): 0.1838 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.1581 Ready Biodegradability Prediction: NO Hydrocarbon Biodegradation (BioHCwin v1.01): LOG BioHC Half-Life (days) : 1.9536 BioHC Half-Life (days) : 89.8735 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 33.6 Pa (0.252 mm Hg) Log Koa (Koawin est ): 5.158 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 8.93E-008 Octanol/air (Koa) model: 3.53E-008 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 3.22E-006 Mackay model : 7.14E-006 Octanol/air (Koa) model: 2.83E-006 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 19.1565 E-12 cm3/molecule-sec Half-Life = 0.558 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 6.700 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 5.18E-006 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1763 Log Koc: 3.246 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 = 2.347 (BCF = 222.4) log Kow used: 3.96 (estimated) Volatilization from Water: Henry LC: 0.000134 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 6.15 hours Half-Life from Model Lake : 162.8 hours (6.782 days) Removal In Wastewater Treatment: Total removal: 32.09 percent Total biodegradation: 0.29 percent Total sludge adsorption: 27.28 percent Total to Air: 4.52 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.721 13.4 1000 Water 12.6 900 1000 Soil 84 1.8e+003 1000 Sediment 2.7 8.1e+003 0 Persistence Time: 1.01e+003 hr
Click to predict properties on the Chemicalize site
Advertisement
Spotlight