Try beta.chemspider
Bis(2-methyl-2-propanyl) 3,3'-(9H-fluorene-9,9-diyl)dipropanoate
CC(C)(C)OC(=O)CCC1(c2ccccc2-c3c1cccc3)CCC(=O)OC(C)(C)C
InChI=1S/C27H34O4/c1-25(2,3)30-23(28)15-17-27(18-16-24(29)31-26(4,5)6)21-13-9-7-11-19(21)20-12-8-10-14-22(20)27/h7-14H,15-18H2,1-6H3
VHFZDEDUOLZLMV-UHFFFAOYSA-N
CSID:13081812, http://www.chemspider.com/Chemical-Structure.13081812.html (accessed 00:11, May 18, 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) = 7.39 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 464.90 (Adapted Stein & Brown method) Melting Pt (deg C): 174.24 (Mean or Weighted MP) VP(mm Hg,25 deg C): 5.94E-009 (Modified Grain method) Subcooled liquid VP: 2.09E-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): 8.385e-005 log Kow used: 7.39 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.00023557 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Esters Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.61E-008 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 3.939E-005 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 7.39 (KowWin est) Log Kaw used: -6.182 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 13.572 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.3429 Biowin2 (Non-Linear Model) : 0.4994 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.9094 (months ) Biowin4 (Primary Survey Model) : 3.2357 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.6112 Biowin6 (MITI Non-Linear Model): 0.3125 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.9598 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): 2.79E-005 Pa (2.09E-007 mm Hg) Log Koa (Koawin est ): 13.572 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.108 Octanol/air (Koa) model: 9.16 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.795 Mackay model : 0.896 Octanol/air (Koa) model: 0.999 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 12.6694 E-12 cm3/molecule-sec Half-Life = 0.844 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 10.131 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.846 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 4.664E+005 Log Koc: 5.669 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 4.781E-002 L/mol-sec Kb Half-Life at pH 8: 167.785 days Kb Half-Life at pH 7: 4.594 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 4.274 (BCF = 1.88e+004) log Kow used: 7.39 (estimated) Volatilization from Water: Henry LC: 1.61E-008 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 7.476E+004 hours (3115 days) Half-Life from Model Lake : 8.157E+005 hours (3.399E+004 days) Removal In Wastewater Treatment: Total removal: 93.96 percent Total biodegradation: 0.78 percent Total sludge adsorption: 93.18 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 0.0643 20.3 1000 Water 1.31 1.44e+003 1000 Soil 37.5 2.88e+003 1000 Sediment 61.1 1.3e+004 0 Persistence Time: 5.46e+003 hr
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