4-Methoxyphenyl 4-butylcyclohexanecarboxylate
CCCCC1CCC(CC1)C(=O)Oc2ccc(cc2)OC
InChI=1S/C18H26O3/c1-3-4-5-14-6-8-15(9-7-14)18(19)21-17-12-10-16(20-2)11-13-17/h10-15H,3-9H2,1-2H3
SATRKQXJJHOCFK-UHFFFAOYSA-N
CSID:504186, http://www.chemspider.com/Chemical-Structure.504186.html (accessed 14:01, Mar 28, 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) = 5.83 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 365.77 (Adapted Stein & Brown method) Melting Pt (deg C): 113.00 (Mean or Weighted MP) VP(mm Hg,25 deg C): 7.55E-006 (Modified Grain method) Subcooled liquid VP: 5.56E-005 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): 0.1462 log Kow used: 5.83 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.26829 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Esters Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.17E-005 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.973E-005 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.83 (KowWin est) Log Kaw used: -3.052 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 8.882 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 1.0238 Biowin2 (Non-Linear Model) : 0.9991 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.9378 (weeks ) Biowin4 (Primary Survey Model) : 4.0039 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.6729 Biowin6 (MITI Non-Linear Model): 0.6001 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.0042 Ready Biodegradability Prediction: YES Hydrocarbon Biodegradation (BioHCwin v1.01): Structure incompatible with current estimation method! Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 0.00741 Pa (5.56E-005 mm Hg) Log Koa (Koawin est ): 8.882 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.000405 Octanol/air (Koa) model: 0.000187 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.0144 Mackay model : 0.0314 Octanol/air (Koa) model: 0.0147 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 30.9389 E-12 cm3/molecule-sec Half-Life = 0.346 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 4.149 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.0229 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.281E+004 Log Koc: 4.108 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 1.273E-001 L/mol-sec Kb Half-Life at pH 8: 63.021 days Kb Half-Life at pH 7: 1.725 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 3.790 (BCF = 6166) log Kow used: 5.83 (estimated) Volatilization from Water: Henry LC: 2.17E-005 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 47.72 hours (1.988 days) Half-Life from Model Lake : 663.5 hours (27.64 days) Removal In Wastewater Treatment: Total removal: 91.28 percent Total biodegradation: 0.76 percent Total sludge adsorption: 90.48 percent Total to Air: 0.04 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.423 8.3 1000 Water 8.88 360 1000 Soil 40.5 720 1000 Sediment 50.2 3.24e+003 0 Persistence Time: 860 hr
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