Try beta.chemspider
1-(Isopropylamino)-3-[(4-methyl-1-naphthyl)oxy]-2-propanol
Cc1ccc(c2c1cccc2)OCC(CNC(C)C)O
InChI=1S/C17H23NO2/c1-12(2)18-10-14(19)11-20-17-9-8-13(3)15-6-4-5-7-16(15)17/h4-9,12,14,18-19H,10-11H2,1-3H3
INIIAIIRDKMVMR-UHFFFAOYSA-N
CSID:92796, http://www.chemspider.com/Chemical-Structure.92796.html (accessed 20:45, Apr 25, 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) = 3.14 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 398.08 (Adapted Stein & Brown method) Melting Pt (deg C): 145.20 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.28E-008 (Modified Grain method) Subcooled liquid VP: 2.11E-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): 367.3 log Kow used: 3.14 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 539.94 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 8.81E-013 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.254E-011 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.14 (KowWin est) Log Kaw used: -10.443 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 13.583 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 1.1165 Biowin2 (Non-Linear Model) : 0.9849 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.6465 (weeks-months) Biowin4 (Primary Survey Model) : 3.6346 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3776 Biowin6 (MITI Non-Linear Model): 0.1683 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.0591 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): 2.81E-005 Pa (2.11E-007 mm Hg) Log Koa (Koawin est ): 13.583 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.107 Octanol/air (Koa) model: 9.4 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.794 Mackay model : 0.895 Octanol/air (Koa) model: 0.999 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 228.9646 E-12 cm3/molecule-sec Half-Life = 0.047 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.561 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.844 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 2014 Log Koc: 3.304 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 = 1.071 (BCF = 11.79) log Kow used: 3.14 (estimated) Volatilization from Water: Henry LC: 8.81E-013 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.099E+009 hours (4.578E+007 days) Half-Life from Model Lake : 1.199E+010 hours (4.995E+008 days) Removal In Wastewater Treatment: Total removal: 7.07 percent Total biodegradation: 0.13 percent Total sludge adsorption: 6.94 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 3.7e-005 1.12 1000 Water 12.4 900 1000 Soil 87.2 1.8e+003 1000 Sediment 0.387 8.1e+003 0 Persistence Time: 1.8e+003 hr
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