Try beta.chemspider
2-(9H-Fluoren-2-ylmethyl)benzoic acid
c1ccc-2c(c1)Cc3c2ccc(c3)Cc4ccccc4C(=O)O
InChI=1S/C21H16O2/c22-21(23)20-8-4-2-5-15(20)11-14-9-10-19-17(12-14)13-16-6-1-3-7-18(16)19/h1-10,12H,11,13H2,(H,22,23)
OSBNLUVXTWOMPP-UHFFFAOYSA-N
CSID:234571, http://www.chemspider.com/Chemical-Structure.234571.html (accessed 13:43, May 11, 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) = 5.90 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 459.23 (Adapted Stein & Brown method) Melting Pt (deg C): 193.55 (Mean or Weighted MP) VP(mm Hg,25 deg C): 4.92E-009 (Modified Grain method) Subcooled liquid VP: 2.9E-007 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): 0.1128 log Kow used: 5.90 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.034493 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 : 3.22E-009 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.724E-008 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.90 (KowWin est) Log Kaw used: -6.881 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 12.781 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8908 Biowin2 (Non-Linear Model) : 0.9105 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.4736 (weeks-months) Biowin4 (Primary Survey Model) : 3.2851 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.1685 Biowin6 (MITI Non-Linear Model): 0.0520 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.1259 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): 3.87E-005 Pa (2.9E-007 mm Hg) Log Koa (Koawin est ): 12.781 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.0776 Octanol/air (Koa) model: 1.48 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.737 Mackay model : 0.861 Octanol/air (Koa) model: 0.992 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 225.1509 E-12 cm3/molecule-sec Half-Life = 0.048 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.570 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 18.914999 E-17 cm3/molecule-sec Half-Life = 0.061 Days (at 7E11 mol/cm3) Half-Life = 1.454 Hrs Fraction sorbed to airborne particulates (phi): 0.799 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 4.18E+004 Log Koc: 4.621 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 = 0.750 (BCF = 5.623) log Kow used: 5.90 (estimated) Volatilization from Water: Henry LC: 3.22E-009 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 3.151E+005 hours (1.313E+004 days) Half-Life from Model Lake : 3.438E+006 hours (1.432E+005 days) Removal In Wastewater Treatment: Total removal: 91.68 percent Total biodegradation: 0.77 percent Total sludge adsorption: 90.91 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 0.0106 0.639 1000 Water 4.41 900 1000 Soil 39.5 1.8e+003 1000 Sediment 56.1 8.1e+003 0 Persistence Time: 2.47e+003 hr
Click to predict properties on the Chemicalize site
Advertisement
Spotlight