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1-[(Diisobutylamino)methyl]-2-naphthol
CC(C)CN(Cc1c2ccccc2ccc1O)CC(C)C
InChI=1S/C19H27NO/c1-14(2)11-20(12-15(3)4)13-18-17-8-6-5-7-16(17)9-10-19(18)21/h5-10,14-15,21H,11-13H2,1-4H3
ABPITNTXXGOCET-UHFFFAOYSA-N
CSID:2182812, http://www.chemspider.com/Chemical-Structure.2182812.html (accessed 14:53, Apr 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) = 5.24 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 393.95 (Adapted Stein & Brown method) Melting Pt (deg C): 141.41 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.69E-007 (Modified Grain method) Subcooled liquid VP: 2.53E-006 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): 19.28 log Kow used: 5.24 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 15.8 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Phenols Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.64E-010 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 3.292E-009 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.24 (KowWin est) Log Kaw used: -8.174 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 13.414 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.5222 Biowin2 (Non-Linear Model) : 0.0864 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.3700 (weeks-months) Biowin4 (Primary Survey Model) : 3.1876 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.1649 Biowin6 (MITI Non-Linear Model): 0.0087 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.3360 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): 0.000337 Pa (2.53E-006 mm Hg) Log Koa (Koawin est ): 13.414 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.00889 Octanol/air (Koa) model: 6.37 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.243 Mackay model : 0.416 Octanol/air (Koa) model: 0.998 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 230.5538 E-12 cm3/molecule-sec Half-Life = 0.046 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.557 Hrs Ozone Reaction: No Ozone Reaction Estimation Reaction With Nitrate Radicals May Be Important! Fraction sorbed to airborne particulates (phi): 0.329 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 3.562E+005 Log Koc: 5.552 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 = 3.336 (BCF = 2169) log Kow used: 5.24 (estimated) Volatilization from Water: Henry LC: 1.64E-010 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 6.031E+006 hours (2.513E+005 days) Half-Life from Model Lake : 6.58E+007 hours (2.742E+006 days) Removal In Wastewater Treatment: Total removal: 83.98 percent Total biodegradation: 0.72 percent Total sludge adsorption: 83.26 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 0.00121 1.11 1000 Water 6.98 900 1000 Soil 66.4 1.8e+003 1000 Sediment 26.6 8.1e+003 0 Persistence Time: 2.41e+003 hr
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