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4-Cyclohexylphenyl 4-butylcyclohexanecarboxylate
CCCCC1CCC(CC1)C(=O)Oc2ccc(cc2)C3CCCCC3
InChI=1S/C23H34O2/c1-2-3-7-18-10-12-21(13-11-18)23(24)25-22-16-14-20(15-17-22)19-8-5-4-6-9-19/h14-19,21H,2-13H2,1H3
AQAZSJIFTWVXAR-UHFFFAOYSA-N
CSID:2400482, http://www.chemspider.com/Chemical-Structure.2400482.html (accessed 20:45, Jun 5, 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) = 8.57 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 416.89 (Adapted Stein & Brown method) Melting Pt (deg C): 148.68 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.78E-007 (Modified Grain method) Subcooled liquid VP: 3.22E-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): 0.0003317 log Kow used: 8.57 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.0027599 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Esters Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 7.34E-004 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.419E-004 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 8.57 (KowWin est) Log Kaw used: -1.523 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 10.093 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.9218 Biowin2 (Non-Linear Model) : 0.9905 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.8059 (weeks ) Biowin4 (Primary Survey Model) : 3.7831 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4111 Biowin6 (MITI Non-Linear Model): 0.2698 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.7757 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): 0.000429 Pa (3.22E-006 mm Hg) Log Koa (Koawin est ): 10.093 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.00699 Octanol/air (Koa) model: 0.00304 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.202 Mackay model : 0.359 Octanol/air (Koa) model: 0.196 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 27.7124 E-12 cm3/molecule-sec Half-Life = 0.386 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 4.632 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.28 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 6.799E+005 Log Koc: 5.832 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 6.566E-002 L/mol-sec Kb Half-Life at pH 8: 122.175 days Kb Half-Life at pH 7: 3.345 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 2.663 (BCF = 460.2) log Kow used: 8.57 (estimated) Volatilization from Water: Henry LC: 0.000734 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 3.365 hours Half-Life from Model Lake : 191.9 hours (7.996 days) Removal In Wastewater Treatment: Total removal: 94.03 percent Total biodegradation: 0.78 percent Total sludge adsorption: 93.25 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 0.286 9.26 1000 Water 3.69 360 1000 Soil 29.1 720 1000 Sediment 66.9 3.24e+003 0 Persistence Time: 1.27e+003 hr
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