Try beta.chemspider
2-Methyl-2-propanyl 3-ethyl-1-piperazinecarboxylate
CCC1CN(CCN1)C(=O)OC(C)(C)C
InChI=1S/C11H22N2O2/c1-5-9-8-13(7-6-12-9)10(14)15-11(2,3)4/h9,12H,5-8H2,1-4H3
DXJOJUNLMJMJSN-UHFFFAOYSA-N
CSID:11228399, http://www.chemspider.com/Chemical-Structure.11228399.html (accessed 15:59, Jun 14, 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) = 2.01 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 284.72 (Adapted Stein & Brown method) Melting Pt (deg C): 81.91 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.00125 (Modified Grain method) Subcooled liquid VP: 0.00438 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): 7219 log Kow used: 2.01 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 47744 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 : 1.04E-010 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 4.883E-008 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.01 (KowWin est) Log Kaw used: -8.371 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 10.381 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6950 Biowin2 (Non-Linear Model) : 0.5894 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.4912 (weeks-months) Biowin4 (Primary Survey Model) : 3.6220 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2547 Biowin6 (MITI Non-Linear Model): 0.1150 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.0663 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): 0.584 Pa (0.00438 mm Hg) Log Koa (Koawin est ): 10.381 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 5.14E-006 Octanol/air (Koa) model: 0.0059 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.000186 Mackay model : 0.000411 Octanol/air (Koa) model: 0.321 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 122.7300 E-12 cm3/molecule-sec Half-Life = 0.087 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.046 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.000298 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 604.9 Log Koc: 2.782 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 3.405E-016 L/mol-sec Kb Half-Life at pH 8: 6.450E+013 years Kb Half-Life at pH 7: 6.450E+014 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 0.848 (BCF = 7.04) log Kow used: 2.01 (estimated) Volatilization from Water: Henry LC: 1.04E-010 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 8.241E+006 hours (3.434E+005 days) Half-Life from Model Lake : 8.991E+007 hours (3.746E+006 days) Removal In Wastewater Treatment: Total removal: 2.25 percent Total biodegradation: 0.10 percent Total sludge adsorption: 2.16 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 0.000987 2.09 1000 Water 22.9 900 1000 Soil 77 1.8e+003 1000 Sediment 0.0895 8.1e+003 0 Persistence Time: 1.42e+003 hr
Click to predict properties on the Chemicalize site
Advertisement
Spotlight