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4-(2-Methyl-2-propanyl)phenyl diphenylacetate
CC(C)(C)c1ccc(cc1)OC(=O)C(c2ccccc2)c3ccccc3
InChI=1S/C24H24O2/c1-24(2,3)20-14-16-21(17-15-20)26-23(25)22(18-10-6-4-7-11-18)19-12-8-5-9-13-19/h4-17,22H,1-3H3
SCEUEWZPAOEROR-UHFFFAOYSA-N
CSID:1403464, http://www.chemspider.com/Chemical-Structure.1403464.html (accessed 20:35, Jun 14, 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) = 6.84 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 432.01 (Adapted Stein & Brown method) Melting Pt (deg C): 161.93 (Mean or Weighted MP) VP(mm Hg,25 deg C): 5.37E-008 (Modified Grain method) Subcooled liquid VP: 1.37E-006 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): 0.009615 log Kow used: 6.84 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.0026947 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Esters Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.09E-006 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.531E-006 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 6.84 (KowWin est) Log Kaw used: -4.351 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 11.191 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8847 Biowin2 (Non-Linear Model) : 0.9905 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.3352 (weeks-months) Biowin4 (Primary Survey Model) : 3.3675 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2053 Biowin6 (MITI Non-Linear Model): 0.0711 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.5460 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): 0.000183 Pa (1.37E-006 mm Hg) Log Koa (Koawin est ): 11.191 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.0164 Octanol/air (Koa) model: 0.0381 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.372 Mackay model : 0.568 Octanol/air (Koa) model: 0.753 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 13.5104 E-12 cm3/molecule-sec Half-Life = 0.792 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 9.500 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.47 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 8.582E+005 Log Koc: 5.934 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 2.716E-001 L/mol-sec Kb Half-Life at pH 8: 29.531 days Kb Half-Life at pH 7: 295.313 days Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 4.568 (BCF = 3.697e+004) log Kow used: 6.84 (estimated) Volatilization from Water: Henry LC: 1.09E-006 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 998.8 hours (41.62 days) Half-Life from Model Lake : 1.105E+004 hours (460.5 days) Removal In Wastewater Treatment: Total removal: 93.76 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 0.171 19 1000 Water 2.15 900 1000 Soil 32.6 1.8e+003 1000 Sediment 65.1 8.1e+003 0 Persistence Time: 3.21e+003 hr
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