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Dicyclohexyl 2,2'-biphenyldicarboxylate
c1ccc(c(c1)c2ccccc2C(=O)OC3CCCCC3)C(=O)OC4CCCCC4
InChI=1S/C26H30O4/c27-25(29-19-11-3-1-4-12-19)23-17-9-7-15-21(23)22-16-8-10-18-24(22)26(28)30-20-13-5-2-6-14-20/h7-10,15-20H,1-6,11-14H2
WXYKSYQIZPBQLT-UHFFFAOYSA-N
CSID:371404, http://www.chemspider.com/Chemical-Structure.371404.html (accessed 05:10, May 4, 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) = 7.97 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 493.09 (Adapted Stein & Brown method) Melting Pt (deg C): 165.59 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.46E-009 (Modified Grain method) Subcooled liquid VP: 4.1E-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): 0.0004386 log Kow used: 7.97 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.011152 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Esters Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 5.68E-008 atm-m3/mole Group Method: 5.11E-009 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 1.781E-006 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 7.97 (KowWin est) Log Kaw used: -5.634 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 13.604 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.9024 Biowin2 (Non-Linear Model) : 0.9955 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.5812 (weeks-months) Biowin4 (Primary Survey Model) : 3.7191 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4781 Biowin6 (MITI Non-Linear Model): 0.2226 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.7049 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): 5.47E-006 Pa (4.1E-008 mm Hg) Log Koa (Koawin est ): 13.604 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.549 Octanol/air (Koa) model: 9.86 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.952 Mackay model : 0.978 Octanol/air (Koa) model: 0.999 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 29.6983 E-12 cm3/molecule-sec Half-Life = 0.360 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 4.322 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.965 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 6.802E+005 Log Koc: 5.833 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 1.883E-002 L/mol-sec Kb Half-Life at pH 8: 1.166 years Kb Half-Life at pH 7: 11.662 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 3.486 (BCF = 3060) log Kow used: 7.97 (estimated) Volatilization from Water: Henry LC: 5.11E-009 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 2.31E+005 hours (9626 days) Half-Life from Model Lake : 2.52E+006 hours (1.05E+005 days) Removal In Wastewater Treatment: Total removal: 94.01 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 0.0706 8.64 1000 Water 1.8 900 1000 Soil 33 1.8e+003 1000 Sediment 65.1 8.1e+003 0 Persistence Time: 3.43e+003 hr
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