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N-[(9H-Fluoren-9-ylmethoxy)carbonyl]glycine
c1ccc2c(c1)-c3ccccc3C2COC(=O)NCC(=O)O
InChI=1S/C17H15NO4/c19-16(20)9-18-17(21)22-10-15-13-7-3-1-5-11(13)12-6-2-4-8-14(12)15/h1-8,15H,9-10H2,(H,18,21)(H,19,20)
NDKDFTQNXLHCGO-UHFFFAOYSA-N
CSID:84070, http://www.chemspider.com/Chemical-Structure.84070.html (accessed 23:30, Apr 25, 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) = 2.53 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 461.29 (Adapted Stein & Brown method) Melting Pt (deg C): 194.52 (Mean or Weighted MP) VP(mm Hg,25 deg C): 4.25E-009 (Modified Grain method) Subcooled liquid VP: 2.57E-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): 17.04 log Kow used: 2.53 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 32.266 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Esters-acid Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.89E-014 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 9.757E-011 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.53 (KowWin est) Log Kaw used: -11.799 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 14.329 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8129 Biowin2 (Non-Linear Model) : 0.7343 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.7852 (weeks ) Biowin4 (Primary Survey Model) : 3.9295 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.1201 Biowin6 (MITI Non-Linear Model): 0.0816 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.2300 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): 3.43E-005 Pa (2.57E-007 mm Hg) Log Koa (Koawin est ): 14.329 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.0875 Octanol/air (Koa) model: 52.4 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.76 Mackay model : 0.875 Octanol/air (Koa) model: 1 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 23.6677 E-12 cm3/molecule-sec Half-Life = 0.452 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 5.423 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.817 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 2476 Log Koc: 3.394 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 1.502E-003 L/mol-sec Kb Half-Life at pH 8: 14.622 years Kb Half-Life at pH 7: 146.215 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 0.500 (BCF = 3.162) log Kow used: 2.53 (estimated) Volatilization from Water: Henry LC: 3.89E-014 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 2.595E+010 hours (1.081E+009 days) Half-Life from Model Lake : 2.831E+011 hours (1.18E+010 days) Removal In Wastewater Treatment: Total removal: 3.18 percent Total biodegradation: 0.10 percent Total sludge adsorption: 3.08 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 3.84e-006 10.8 1000 Water 18.5 360 1000 Soil 81.4 720 1000 Sediment 0.135 3.24e+003 0 Persistence Time: 755 hr
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