Try beta.chemspider
6,9-Dimethyl-5,10-dihydro-4H-benzo[5,6]cyclohepta[1,2-b]furan
Cc2ccc(C)c1Cc3occc3CCc12
InChI=1S/C15H16O/c1-10-3-4-11(2)14-9-15-12(7-8-16-15)5-6-13(10)14/h3-4,7-8H,5-6,9H2,1-2H3
JRTMWUAPYIQOCH-UHFFFAOYSA-N
CSID:9141048, http://www.chemspider.com/Chemical-Structure.9141048.html (accessed 10:40, Jul 1, 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) = 5.40 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 317.28 (Adapted Stein & Brown method) Melting Pt (deg C): 94.43 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.000165 (Modified Grain method) Subcooled liquid VP: 0.000776 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): 0.9186 log Kow used: 5.40 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 8.4286 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Vinyl/Allyl Ethers Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.24E-003 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 5.017E-005 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.40 (KowWin est) Log Kaw used: -1.038 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 6.438 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.5178 Biowin2 (Non-Linear Model) : 0.2447 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.4220 (weeks-months) Biowin4 (Primary Survey Model) : 3.2576 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.1021 Biowin6 (MITI Non-Linear Model): 0.0567 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.8662 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): 0.103 Pa (0.000776 mm Hg) Log Koa (Koawin est ): 6.438 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 2.9E-005 Octanol/air (Koa) model: 6.73E-007 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.00105 Mackay model : 0.00231 Octanol/air (Koa) model: 5.38E-005 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 163.8340 E-12 cm3/molecule-sec Half-Life = 0.065 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.783 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 7.568750 E-17 cm3/molecule-sec Half-Life = 0.151 Days (at 7E11 mol/cm3) Half-Life = 3.634 Hrs Fraction sorbed to airborne particulates (phi): 0.00168 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1841 Log Koc: 3.265 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 = 3.460 (BCF = 2887) log Kow used: 5.40 (estimated) Volatilization from Water: Henry LC: 0.00224 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.868 hours Half-Life from Model Lake : 142.5 hours (5.939 days) Removal In Wastewater Treatment: Total removal: 88.54 percent Total biodegradation: 0.66 percent Total sludge adsorption: 82.09 percent Total to Air: 5.79 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.0562 1.09 1000 Water 5.81 900 1000 Soil 63.6 1.8e+003 1000 Sediment 30.6 8.1e+003 0 Persistence Time: 1.35e+003 hr
Click to predict properties on the Chemicalize site
Advertisement
Spotlight