Try beta.chemspider
(1-Phenyl-1,1-ethanediyl)di-4,1-phenylene bis(2-methylpropanoate)
CC(C)C(=O)Oc1ccc(cc1)C(C)(c2ccccc2)c3ccc(cc3)OC(=O)C(C)C
InChI=1S/C28H30O4/c1-19(2)26(29)31-24-15-11-22(12-16-24)28(5,21-9-7-6-8-10-21)23-13-17-25(18-14-23)32-27(30)20(3)4/h6-20H,1-5H3
MFIBGISLYIQWAC-UHFFFAOYSA-N
CSID:3275122, http://www.chemspider.com/Chemical-Structure.3275122.html (accessed 16:20, Apr 26, 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) = 6.83 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 480.83 (Adapted Stein & Brown method) Melting Pt (deg C): 165.32 (Mean or Weighted MP) VP(mm Hg,25 deg C): 3E-009 (Modified Grain method) Subcooled liquid VP: 8.35E-008 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): 0.002896 log Kow used: 6.83 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.00053455 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Esters Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.31E-008 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 5.869E-007 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 6.83 (KowWin est) Log Kaw used: -6.025 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 12.855 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8351 Biowin2 (Non-Linear Model) : 0.9941 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.3380 (weeks-months) Biowin4 (Primary Survey Model) : 3.5359 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.1939 Biowin6 (MITI Non-Linear Model): 0.0410 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.9064 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): 1.11E-005 Pa (8.35E-008 mm Hg) Log Koa (Koawin est ): 12.855 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.269 Octanol/air (Koa) model: 1.76 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.907 Mackay model : 0.956 Octanol/air (Koa) model: 0.993 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 12.6456 E-12 cm3/molecule-sec Half-Life = 0.846 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 10.150 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.931 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.242E+006 Log Koc: 6.094 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 7.505E-001 L/mol-sec Kb Half-Life at pH 8: 10.689 days Kb Half-Life at pH 7: 106.894 days Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 4.560 (BCF = 3.63e+004) log Kow used: 6.83 (estimated) Volatilization from Water: Henry LC: 2.31E-008 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 5.259E+004 hours (2191 days) Half-Life from Model Lake : 5.739E+005 hours (2.391E+004 days) Removal In Wastewater Treatment: Total removal: 93.75 percent Total biodegradation: 0.78 percent Total sludge adsorption: 92.98 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 0.122 20.3 1000 Water 2.06 900 1000 Soil 35.6 1.8e+003 1000 Sediment 62.2 8.1e+003 0 Persistence Time: 3.41e+003 hr
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