Try beta.chemspider
1-(Phenylacetyl)-1,2,3,4,5-cyclopentanepentayl
c1ccc(cc1)CC(=O)[C]2[CH][CH][CH][CH]2
InChI=1S/C13H11O/c14-13(12-8-4-5-9-12)10-11-6-2-1-3-7-11/h1-9H,10H2
ADCBFSPRWFXEFG-UHFFFAOYSA-N
CSID:8765962, http://www.chemspider.com/Chemical-Structure.8765962.html (accessed 01:53, May 3, 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) = 3.25 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 285.90 (Adapted Stein & Brown method) Melting Pt (deg C): 51.82 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.00233 (Modified Grain method) Subcooled liquid VP: 0.00411 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): 83.86 log Kow used: 3.25 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 93.868 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 5.48E-006 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 6.883E-006 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.25 (KowWin est) Log Kaw used: -3.650 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 6.900 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8475 Biowin2 (Non-Linear Model) : 0.9054 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.7078 (weeks-months) Biowin4 (Primary Survey Model) : 3.4902 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3465 Biowin6 (MITI Non-Linear Model): 0.3136 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.3772 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): 0.548 Pa (0.00411 mm Hg) Log Koa (Koawin est ): 6.900 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 5.47E-006 Octanol/air (Koa) model: 1.95E-006 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.000198 Mackay model : 0.000438 Octanol/air (Koa) model: 0.000156 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 14.4980 E-12 cm3/molecule-sec Half-Life = 0.738 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 8.853 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.000318 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1055 Log Koc: 3.023 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 = 1.804 (BCF = 63.61) log Kow used: 3.25 (estimated) Volatilization from Water: Henry LC: 5.48E-006 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 148 hours (6.167 days) Half-Life from Model Lake : 1730 hours (72.07 days) Removal In Wastewater Treatment: Total removal: 8.75 percent Total biodegradation: 0.15 percent Total sludge adsorption: 8.31 percent Total to Air: 0.29 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.666 17.7 1000 Water 18.3 900 1000 Soil 80.3 1.8e+003 1000 Sediment 0.738 8.1e+003 0 Persistence Time: 1.04e+003 hr
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