Try beta.chemspider
4-[2-(Hexyloxy)ethyl]morpholine
CCCCCCOCCN1CCOCC1
InChI=1S/C12H25NO2/c1-2-3-4-5-9-14-10-6-13-7-11-15-12-8-13/h2-12H2,1H3
JNTYXYNVUNFWCJ-UHFFFAOYSA-N
CSID:2573990, http://www.chemspider.com/Chemical-Structure.2573990.html (accessed 21:37, Jun 15, 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) = 1.83 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 280.47 (Adapted Stein & Brown method) Melting Pt (deg C): 67.26 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.00219 (Modified Grain method) Subcooled liquid VP: 0.00547 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): 1.01e+004 log Kow used: 1.83 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 49216 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.60E-008 atm-m3/mole Group Method: 2.34E-010 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 6.144E-008 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.83 (KowWin est) Log Kaw used: -6.184 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 8.014 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : -0.1465 Biowin2 (Non-Linear Model) : 0.0007 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.7495 (weeks-months) Biowin4 (Primary Survey Model) : 3.4986 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4148 Biowin6 (MITI Non-Linear Model): 0.3159 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.4487 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): 0.729 Pa (0.00547 mm Hg) Log Koa (Koawin est ): 8.014 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 4.11E-006 Octanol/air (Koa) model: 2.54E-005 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.000149 Mackay model : 0.000329 Octanol/air (Koa) model: 0.00202 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 193.3994 E-12 cm3/molecule-sec Half-Life = 0.055 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.664 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.000239 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 47.2 Log Koc: 1.674 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 = 0.711 (BCF = 5.144) log Kow used: 1.83 (estimated) Volatilization from Water: Henry LC: 2.34E-010 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 3.672E+006 hours (1.53E+005 days) Half-Life from Model Lake : 4.005E+007 hours (1.669E+006 days) Removal In Wastewater Treatment: Total removal: 2.12 percent Total biodegradation: 0.09 percent Total sludge adsorption: 2.02 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 0.00232 1.33 1000 Water 26.5 900 1000 Soil 73.4 1.8e+003 1000 Sediment 0.0855 8.1e+003 0 Persistence Time: 1.31e+003 hr
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