9H-Fluoren-9-ylacetic acid
c1ccc2c(c1)-c3ccccc3C2CC(=O)O
InChI=1S/C15H12O2/c16-15(17)9-14-12-7-3-1-5-10(12)11-6-2-4-8-13(11)14/h1-8,14H,9H2,(H,16,17)
WFSMJMTYIMFHPV-UHFFFAOYSA-N
CSID:85581, http://www.chemspider.com/Chemical-Structure.85581.html (accessed 04:18, Apr 20, 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) = 3.40 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 390.22 (Adapted Stein & Brown method) Melting Pt (deg C): 147.92 (Mean or Weighted MP) VP(mm Hg,25 deg C): 8.1E-007 (Modified Grain method) Subcooled liquid VP: 1.44E-005 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): 7.797 log Kow used: 3.40 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 7.3873 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics-acid Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.65E-009 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 3.065E-008 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.40 (KowWin est) Log Kaw used: -7.171 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 10.571 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7681 Biowin2 (Non-Linear Model) : 0.7397 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.9933 (weeks ) Biowin4 (Primary Survey Model) : 3.8412 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3315 Biowin6 (MITI Non-Linear Model): 0.2385 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.2040 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): 0.00192 Pa (1.44E-005 mm Hg) Log Koa (Koawin est ): 10.571 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.00156 Octanol/air (Koa) model: 0.00914 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.0534 Mackay model : 0.111 Octanol/air (Koa) model: 0.422 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 11.0613 E-12 cm3/molecule-sec Half-Life = 0.967 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 11.604 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.0823 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1862 Log Koc: 3.270 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 = 0.500 (BCF = 3.162) log Kow used: 3.40 (estimated) Volatilization from Water: Henry LC: 1.65E-009 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 5.314E+005 hours (2.214E+004 days) Half-Life from Model Lake : 5.797E+006 hours (2.415E+005 days) Removal In Wastewater Treatment: Total removal: 10.95 percent Total biodegradation: 0.17 percent Total sludge adsorption: 10.78 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 0.03 23.2 1000 Water 16.4 360 1000 Soil 83 720 1000 Sediment 0.594 3.24e+003 0 Persistence Time: 774 hr
Click to predict properties on the Chemicalize site
Advertisement
Spotlight