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2-(Adamantan-1-yl)ethyl propylcarbamate
CCCNC(=O)OCCC12CC3CC(C1)CC(C3)C2
InChI=1S/C16H27NO2/c1-2-4-17-15(18)19-5-3-16-9-12-6-13(10-16)8-14(7-12)11-16/h12-14H,2-11H2,1H3,(H,17,18)
PKBZOZJLSKKRQZ-UHFFFAOYSA-N
CSID:3847274, http://www.chemspider.com/Chemical-Structure.3847274.html (accessed 20:28, Apr 26, 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) = 4.99 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 332.86 (Adapted Stein & Brown method) Melting Pt (deg C): 100.99 (Mean or Weighted MP) VP(mm Hg,25 deg C): 6.1E-005 (Modified Grain method) Subcooled liquid VP: 0.000335 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): 1.069 log Kow used: 4.99 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1.2902 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Esters Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.96E-007 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.993E-005 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.99 (KowWin est) Log Kaw used: -4.917 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 9.907 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.5168 Biowin2 (Non-Linear Model) : 0.1864 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.3538 (weeks-months) Biowin4 (Primary Survey Model) : 3.5050 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3005 Biowin6 (MITI Non-Linear Model): 0.1751 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.0755 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): 0.0447 Pa (0.000335 mm Hg) Log Koa (Koawin est ): 9.907 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 6.72E-005 Octanol/air (Koa) model: 0.00198 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.00242 Mackay model : 0.00534 Octanol/air (Koa) model: 0.137 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 38.8682 E-12 cm3/molecule-sec Half-Life = 0.275 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 3.302 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.00388 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 2.294E+004 Log Koc: 4.361 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 4.928E-006 L/mol-sec Kb Half-Life at pH 8: 4456.481 years Kb Half-Life at pH 7: 4.456E+004 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 3.140 (BCF = 1380) log Kow used: 4.99 (estimated) Volatilization from Water: Henry LC: 2.96E-007 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 3224 hours (134.3 days) Half-Life from Model Lake : 3.531E+004 hours (1471 days) Removal In Wastewater Treatment: Total removal: 77.38 percent Total biodegradation: 0.68 percent Total sludge adsorption: 76.71 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 0.183 6.6 1000 Water 11.4 900 1000 Soil 62.8 1.8e+003 1000 Sediment 25.6 8.1e+003 0 Persistence Time: 1.47e+003 hr
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