Try beta.chemspider
1-[(2-Methyl-2-propanyl)amino]-3-[(2-methyl-2-propanyl)oxy]-2-propanol
CC(C)(C)NCC(COC(C)(C)C)O
InChI=1S/C11H25NO2/c1-10(2,3)12-7-9(13)8-14-11(4,5)6/h9,12-13H,7-8H2,1-6H3
CYBFOGMTGJFDGA-UHFFFAOYSA-N
CSID:12263236, http://www.chemspider.com/Chemical-Structure.12263236.html (accessed 04:55, May 6, 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) = 1.23 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 255.96 (Adapted Stein & Brown method) Melting Pt (deg C): 50.96 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.00126 (Modified Grain method) Subcooled liquid VP: 0.00218 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): 3.814e+004 log Kow used: 1.23 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 7.6571e+005 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 6.87E-011 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 8.838E-009 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.23 (KowWin est) Log Kaw used: -8.551 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 9.781 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.2481 Biowin2 (Non-Linear Model) : 0.0107 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.5013 (weeks-months) Biowin4 (Primary Survey Model) : 3.4105 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4890 Biowin6 (MITI Non-Linear Model): 0.2577 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.3709 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): 0.291 Pa (0.00218 mm Hg) Log Koa (Koawin est ): 9.781 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.03E-005 Octanol/air (Koa) model: 0.00148 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.000373 Mackay model : 0.000825 Octanol/air (Koa) model: 0.106 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 93.0343 E-12 cm3/molecule-sec Half-Life = 0.115 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.380 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.000599 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 10 Log Koc: 1.000 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 = 0.247 (BCF = 1.767) log Kow used: 1.23 (estimated) Volatilization from Water: Henry LC: 6.87E-011 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.215E+007 hours (5.063E+005 days) Half-Life from Model Lake : 1.326E+008 hours (5.524E+006 days) Removal In Wastewater Treatment: Total removal: 1.91 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.82 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 0.000845 2.76 1000 Water 37.6 900 1000 Soil 62.3 1.8e+003 1000 Sediment 0.0845 8.1e+003 0 Persistence Time: 1.1e+003 hr
Click to predict properties on the Chemicalize site
Advertisement
Spotlight