2-Cyclohexylphenyl 1-naphthylcarbamate
c1ccc2c(c1)cccc2NC(=O)Oc3ccccc3C4CCCCC4
InChI=1S/C23H23NO2/c25-23(24-21-15-8-12-17-11-4-5-13-19(17)21)26-22-16-7-6-14-20(22)18-9-2-1-3-10-18/h4-8,11-16,18H,1-3,9-10H2,(H,24,25)
KNNNLPBMBXPXKW-UHFFFAOYSA-N
CSID:320707, http://www.chemspider.com/Chemical-Structure.320707.html (accessed 18:34, 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) = 6.70 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 475.80 (Adapted Stein & Brown method) Melting Pt (deg C): 189.08 (Mean or Weighted MP) VP(mm Hg,25 deg C): 2.14E-009 (Modified Grain method) Subcooled liquid VP: 1.12E-007 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): 0.01246 log Kow used: 6.70 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.0025388 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Esters Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.58E-009 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 7.806E-008 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 6.70 (KowWin est) Log Kaw used: -7.190 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 13.890 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7173 Biowin2 (Non-Linear Model) : 0.4231 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.3142 (weeks-months) Biowin4 (Primary Survey Model) : 3.4744 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.1798 Biowin6 (MITI Non-Linear Model): 0.0139 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.8951 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): 1.49E-005 Pa (1.12E-007 mm Hg) Log Koa (Koawin est ): 13.890 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.201 Octanol/air (Koa) model: 19.1 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.879 Mackay model : 0.941 Octanol/air (Koa) model: 0.999 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 213.3981 E-12 cm3/molecule-sec Half-Life = 0.050 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.601 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.91 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 2.706E+005 Log Koc: 5.432 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 2.484E+002 L/mol-sec Kb Half-Life at pH 8: 46.499 minutes Kb Half-Life at pH 7: 7.750 hours Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 4.461 (BCF = 2.891e+004) log Kow used: 6.70 (estimated) Volatilization from Water: Henry LC: 1.58E-009 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 6.887E+005 hours (2.87E+004 days) Half-Life from Model Lake : 7.513E+006 hours (3.131E+005 days) Removal In Wastewater Treatment: Total removal: 93.66 percent Total biodegradation: 0.78 percent Total sludge adsorption: 92.88 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 0.0141 1.2 1000 Water 2.28 900 1000 Soil 33.1 1.8e+003 1000 Sediment 64.6 8.1e+003 0 Persistence Time: 3.14e+003 hr
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