Try beta.chemspider
1-Methyl-6-methylene-6,7,8,9-tetrahydrophenanthro[1,2-b]furan-10,11-dione
Cc1coc-2c1C(=O)C(=O)c3c2ccc4c3CCCC4=C
InChI=1S/C18H14O3/c1-9-4-3-5-12-11(9)6-7-13-15(12)17(20)16(19)14-10(2)8-21-18(13)14/h6-8H,1,3-5H2,2H3
QDFFAXSMLUUJSG-UHFFFAOYSA-N
CSID:94840, http://www.chemspider.com/Chemical-Structure.94840.html (accessed 17:28, 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) = 4.17 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 415.83 (Adapted Stein & Brown method) Melting Pt (deg C): 173.28 (Mean or Weighted MP) VP(mm Hg,25 deg C): 2.47E-007 (Modified Grain method) Subcooled liquid VP: 8.46E-006 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): 4.507 log Kow used: 4.17 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 14.624 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 : 1.93E-008 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.007E-008 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.17 (KowWin est) Log Kaw used: -6.103 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 10.273 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.2677 Biowin2 (Non-Linear Model) : 0.0125 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.5755 (weeks-months) Biowin4 (Primary Survey Model) : 3.4365 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.0238 Biowin6 (MITI Non-Linear Model): 0.0086 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.2284 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): 0.00113 Pa (8.46E-006 mm Hg) Log Koa (Koawin est ): 10.273 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.00266 Octanol/air (Koa) model: 0.0046 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.0876 Mackay model : 0.175 Octanol/air (Koa) model: 0.269 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 312.7030 E-12 cm3/molecule-sec Half-Life = 0.034 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 24.628 Min Ozone Reaction: OVERALL Ozone Rate Constant = 36.345001 E-17 cm3/molecule-sec Half-Life = 0.032 Days (at 7E11 mol/cm3) Half-Life = 45.405 Min Fraction sorbed to airborne particulates (phi): 0.132 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 85.32 Log Koc: 1.931 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 = 2.510 (BCF = 323.8) log Kow used: 4.17 (estimated) Volatilization from Water: Henry LC: 1.93E-008 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 5.061E+004 hours (2109 days) Half-Life from Model Lake : 5.522E+005 hours (2.301E+004 days) Removal In Wastewater Treatment: Total removal: 38.38 percent Total biodegradation: 0.39 percent Total sludge adsorption: 37.99 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 0.0152 0.394 1000 Water 16 900 1000 Soil 78.3 1.8e+003 1000 Sediment 5.63 8.1e+003 0 Persistence Time: 1.16e+003 hr
Click to predict properties on the Chemicalize site
Advertisement
Spotlight