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Ethyl 4-aminocyclohexanecarboxylate
CCOC(=O)C1CCC(CC1)N
InChI=1S/C9H17NO2/c1-2-12-9(11)7-3-5-8(10)6-4-7/h7-8H,2-6,10H2,1H3
WASRJUXSLHUONH-UHFFFAOYSA-N
CSID:362829, http://www.chemspider.com/Chemical-Structure.362829.html (accessed 16:20, Jul 27, 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) = 1.59 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 244.31 (Adapted Stein & Brown method) Melting Pt (deg C): 37.88 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.0272 (Modified Grain method) Subcooled liquid VP: 0.0356 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): 2.715e+004 log Kow used: 1.59 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 61025 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Esters Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 4.35E-008 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.257E-007 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.59 (KowWin est) Log Kaw used: -5.750 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 7.340 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.9940 Biowin2 (Non-Linear Model) : 0.9969 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.9854 (weeks ) Biowin4 (Primary Survey Model) : 3.8729 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.7333 Biowin6 (MITI Non-Linear Model): 0.7068 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.7305 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): 4.75 Pa (0.0356 mm Hg) Log Koa (Koawin est ): 7.340 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 6.32E-007 Octanol/air (Koa) model: 5.37E-006 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 2.28E-005 Mackay model : 5.06E-005 Octanol/air (Koa) model: 0.000429 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 56.5195 E-12 cm3/molecule-sec Half-Life = 0.189 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 2.271 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 3.67E-005 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 34.89 Log Koc: 1.543 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 1.144E-002 L/mol-sec Kb Half-Life at pH 8: 1.919 years Kb Half-Life at pH 7: 19.191 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 0.524 (BCF = 3.34) log Kow used: 1.59 (estimated) Volatilization from Water: Henry LC: 4.35E-008 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.761E+004 hours (733.9 days) Half-Life from Model Lake : 1.923E+005 hours (8011 days) Removal In Wastewater Treatment: Total removal: 2.00 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.91 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 0.336 4.54 1000 Water 33.6 360 1000 Soil 66 720 1000 Sediment 0.0841 3.24e+003 0 Persistence Time: 462 hr
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