Try beta.chemspider
4-Ethylmorpholine
CCN1CCOCC1
InChI=1S/C6H13NO/c1-2-7-3-5-8-6-4-7/h2-6H2,1H3
HVCNXQOWACZAFN-UHFFFAOYSA-N
CSID:7244, http://www.chemspider.com/Chemical-Structure.7244.html (accessed 15:57, May 23, 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) = 0.14 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 146.56 (Adapted Stein & Brown method) Melting Pt (deg C): -16.76 (Mean or Weighted MP) VP(mm Hg,25 deg C): 6.81 (Mean VP of Antoine & Grain methods) MP (exp database): -64 deg C BP (exp database): 138.5 deg C VP (exp database): 5.03E+00 mm Hg at 20 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 8.032e+005 log Kow used: 0.14 (estimated) no-melting pt equation used Water Sol (Exper. database match) = 1e+006 mg/L (25 deg C) Exper. Ref: YALKOWSKY,SH & DANNENFELSER,RM (1992) Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1e+006 mg/L Wat Sol (Exper. database match) = 1000000.00 Exper. Ref: YALKOWSKY,SH & DANNENFELSER,RM (1992) ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.32E-007 atm-m3/mole Group Method: 2.74E-008 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 1.285E-006 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 0.14 (KowWin est) Log Kaw used: -4.867 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 5.007 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.1401 Biowin2 (Non-Linear Model) : 0.0137 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.6812 (weeks-months) Biowin4 (Primary Survey Model) : 3.3838 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4149 Biowin6 (MITI Non-Linear Model): 0.4131 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.0297 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): 671 Pa (5.03 mm Hg) Log Koa (Koawin est ): 5.007 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 4.47E-009 Octanol/air (Koa) model: 2.49E-008 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1.62E-007 Mackay model : 3.58E-007 Octanol/air (Koa) model: 2E-006 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 149.6725 E-12 cm3/molecule-sec Half-Life = 0.071 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.858 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 2.6E-007 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 11.95 Log Koc: 1.077 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Rate constants can NOT be estimated for this structure! Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 0.500 (BCF = 3.162) log Kow used: 0.14 (estimated) Volatilization from Water: Henry LC: 2.74E-008 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 2.293E+004 hours (955.6 days) Half-Life from Model Lake : 2.503E+005 hours (1.043E+004 days) Removal In Wastewater Treatment: Total removal: 1.85 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.76 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 0.107 1.72 1000 Water 51.3 900 1000 Soil 48.5 1.8e+003 1000 Sediment 0.0998 8.1e+003 0 Persistence Time: 651 hr
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