Try beta.chemspider
(1,2-Ethanediyldi-4,1-phenylene)bis[(4-methylphenyl)methanone]
Cc1ccc(cc1)C(=O)c2ccc(cc2)CCc3ccc(cc3)C(=O)c4ccc(cc4)C
InChI=1S/C30H26O2/c1-21-3-13-25(14-4-21)29(31)27-17-9-23(10-18-27)7-8-24-11-19-28(20-12-24)30(32)26-15-5-22(2)6-16-26/h3-6,9-20H,7-8H2,1-2H3
UKPMUAIJGCXPBB-UHFFFAOYSA-N
CSID:205748, http://www.chemspider.com/Chemical-Structure.205748.html (accessed 05:18, Jun 1, 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) = 8.14 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 553.89 (Adapted Stein & Brown method) Melting Pt (deg C): 237.77 (Mean or Weighted MP) VP(mm Hg,25 deg C): 5.83E-012 (Modified Grain method) Subcooled liquid VP: 1.16E-009 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): 0.0002615 log Kow used: 8.14 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.00039069 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.01E-010 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.228E-008 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 8.14 (KowWin est) Log Kaw used: -8.384 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 16.524 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7806 Biowin2 (Non-Linear Model) : 0.1777 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.9299 (months ) Biowin4 (Primary Survey Model) : 2.9253 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.1945 Biowin6 (MITI Non-Linear Model): 0.0037 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -2.4617 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): 1.55E-007 Pa (1.16E-009 mm Hg) Log Koa (Koawin est ): 16.524 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 19.4 Octanol/air (Koa) model: 8.2E+003 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.999 Mackay model : 0.999 Octanol/air (Koa) model: 1 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 20.6836 E-12 cm3/molecule-sec Half-Life = 0.517 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 6.206 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.999 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 2.317E+006 Log Koc: 6.365 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Rate constants can NOT be estimated for this structure! Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 2.405 (BCF = 254.4) log Kow used: 8.14 (estimated) Volatilization from Water: Henry LC: 1.01E-010 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.186E+007 hours (4.941E+005 days) Half-Life from Model Lake : 1.294E+008 hours (5.391E+006 days) Removal In Wastewater Treatment: Total removal: 94.02 percent Total biodegradation: 0.78 percent Total sludge adsorption: 93.24 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 0.0539 12.4 1000 Water 1.28 1.44e+003 1000 Soil 35.9 2.88e+003 1000 Sediment 62.7 1.3e+004 0 Persistence Time: 5.35e+003 hr
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