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1-(2,6-Dimethyl-4-morpholinyl)-3-{[4-(2-methyl-2-propanyl)cyclohexyl]oxy}-2-propanol
CC1CN(CC(O1)C)CC(COC2CCC(CC2)C(C)(C)C)O
InChI=1S/C19H37NO3/c1-14-10-20(11-15(2)23-14)12-17(21)13-22-18-8-6-16(7-9-18)19(3,4)5/h14-18,21H,6-13H2,1-5H3
DFRVEFDIWXCZKT-UHFFFAOYSA-N
CSID:3307887, http://www.chemspider.com/Chemical-Structure.3307887.html (accessed 10:55, May 21, 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) = 3.21 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 387.89 (Adapted Stein & Brown method) Melting Pt (deg C): 136.17 (Mean or Weighted MP) VP(mm Hg,25 deg C): 3.19E-008 (Modified Grain method) Subcooled liquid VP: 4.19E-007 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): 154.7 log Kow used: 3.21 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 9859 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.88E-012 atm-m3/mole Group Method: 3.79E-014 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 8.886E-011 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.21 (KowWin est) Log Kaw used: -10.114 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 13.324 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : -0.3336 Biowin2 (Non-Linear Model) : 0.0000 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.1511 (months ) Biowin4 (Primary Survey Model) : 3.0437 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.1030 Biowin6 (MITI Non-Linear Model): 0.0080 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -2.0287 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): 5.59E-005 Pa (4.19E-007 mm Hg) Log Koa (Koawin est ): 13.324 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.0537 Octanol/air (Koa) model: 5.18 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.66 Mackay model : 0.811 Octanol/air (Koa) model: 0.998 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 172.5865 E-12 cm3/molecule-sec Half-Life = 0.062 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.744 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.735 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 81.57 Log Koc: 1.912 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 = 1.775 (BCF = 59.62) log Kow used: 3.21 (estimated) Volatilization from Water: Henry LC: 3.79E-014 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 2.796E+010 hours (1.165E+009 days) Half-Life from Model Lake : 3.05E+011 hours (1.271E+010 days) Removal In Wastewater Treatment: Total removal: 7.93 percent Total biodegradation: 0.14 percent Total sludge adsorption: 7.79 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 6.08e-007 1.49 1000 Water 9.89 1.44e+003 1000 Soil 89.7 2.88e+003 1000 Sediment 0.412 1.3e+004 0 Persistence Time: 2.76e+003 hr
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