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1-(4-Formylphenyl)-1,2,3,4,5-cyclopentanepentayl
c1cc(ccc1C=O)[C]2[CH][CH][CH][CH]2
InChI=1S/C12H9O/c13-9-10-5-7-12(8-6-10)11-3-1-2-4-11/h1-9H
OPCICFZBEGSDQW-UHFFFAOYSA-N
CSID:9034499, http://www.chemspider.com/Chemical-Structure.9034499.html (accessed 00:34, May 13, 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
No predicted properties have been calculated for this compound.
Predicted data is generated using the US Environmental Protection Agency�s EPISuite
Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = 4.04 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 279.32 (Adapted Stein & Brown method) Melting Pt (deg C): 46.56 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.00369 (Modified Grain method) Subcooled liquid VP: 0.00581 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): 20.99 log Kow used: 4.04 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 74.026 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aldehydes Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.03E-005 atm-m3/mole Group Method: 1.47E-005 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 4.030E-005 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.04 (KowWin est) Log Kaw used: -3.081 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 7.121 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 1.0039 Biowin2 (Non-Linear Model) : 0.9997 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.7616 (weeks ) Biowin4 (Primary Survey Model) : 3.7245 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.7072 Biowin6 (MITI Non-Linear Model): 0.8730 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.0155 Ready Biodegradability Prediction: YES Hydrocarbon Biodegradation (BioHCwin v1.01): Structure incompatible with current estimation method! Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 0.775 Pa (0.00581 mm Hg) Log Koa (Koawin est ): 7.121 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 3.87E-006 Octanol/air (Koa) model: 3.24E-006 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.00014 Mackay model : 0.00031 Octanol/air (Koa) model: 0.000259 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 23.8972 E-12 cm3/molecule-sec Half-Life = 0.448 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 5.371 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.000225 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 669.1 Log Koc: 2.826 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 = 2.408 (BCF = 255.7) log Kow used: 4.04 (estimated) Volatilization from Water: Henry LC: 1.47E-005 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 53.92 hours (2.247 days) Half-Life from Model Lake : 698.9 hours (29.12 days) Removal In Wastewater Treatment: Total removal: 32.37 percent Total biodegradation: 0.33 percent Total sludge adsorption: 31.49 percent Total to Air: 0.55 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.979 10.7 1000 Water 22.9 360 1000 Soil 72.9 720 1000 Sediment 3.18 3.24e+003 0 Persistence Time: 474 hr
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