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2-Phenoxyethyl 2-{[2-(4-biphenylyloxy)propanoyl]oxy}benzoate
CC(C(=O)Oc1ccccc1C(=O)OCCOc2ccccc2)Oc3ccc(cc3)c4ccccc4
InChI=1S/C30H26O6/c1-22(35-26-18-16-24(17-19-26)23-10-4-2-5-11-23)29(31)36-28-15-9-8-14-27(28)30(32)34-21-20-33-25-12-6-3-7-13-25/h2-19,22H,20-21H2,1H3
YBTQFNDUAGDIMS-UHFFFAOYSA-N
CSID:12581810, http://www.chemspider.com/Chemical-Structure.12581810.html (accessed 07:00, Jun 29, 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) = 6.58 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 575.35 (Adapted Stein & Brown method) Melting Pt (deg C): 231.73 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.93E-012 (Modified Grain method) Subcooled liquid VP: 3.23E-010 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): 0.002223 log Kow used: 6.58 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.00024884 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Esters Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 7.49E-012 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 5.512E-010 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 6.58 (KowWin est) Log Kaw used: -9.514 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 16.094 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 1.3862 Biowin2 (Non-Linear Model) : 1.0000 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.3410 (weeks-months) Biowin4 (Primary Survey Model) : 3.7735 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.5510 Biowin6 (MITI Non-Linear Model): 0.2838 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.0610 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): 4.31E-008 Pa (3.23E-010 mm Hg) Log Koa (Koawin est ): 16.094 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 69.7 Octanol/air (Koa) model: 3.05E+003 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1 Mackay model : 1 Octanol/air (Koa) model: 1 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 53.5856 E-12 cm3/molecule-sec Half-Life = 0.200 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 2.395 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 1 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.192E+006 Log Koc: 6.076 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 1.375E+000 L/mol-sec Kb Half-Life at pH 8: 5.834 days Kb Half-Life at pH 7: 58.344 days Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 4.367 (BCF = 2.328e+004) log Kow used: 6.58 (estimated) Volatilization from Water: Henry LC: 7.49E-012 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.717E+008 hours (7.155E+006 days) Half-Life from Model Lake : 1.873E+009 hours (7.805E+007 days) Removal In Wastewater Treatment: Total removal: 93.54 percent Total biodegradation: 0.78 percent Total sludge adsorption: 92.76 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 0.0388 4.79 1000 Water 2.33 900 1000 Soil 36.2 1.8e+003 1000 Sediment 61.4 8.1e+003 0 Persistence Time: 3.27e+003 hr
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