6-(Dipropylamino)-5,6,7,8-tetrahydro-2-naphthalenol
CCCN(CCC)C1CCc2cc(ccc2C1)O
InChI=1S/C16H25NO/c1-3-9-17(10-4-2)15-7-5-14-12-16(18)8-6-13(14)11-15/h6,8,12,15,18H,3-5,7,9-11H2,1-2H3
GJLQYNALOOKSLR-UHFFFAOYSA-N
CSID:151329, http://www.chemspider.com/Chemical-Structure.151329.html (accessed 08:45, Dec 2, 2023)
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) = 4.02 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 364.41 (Adapted Stein & Brown method) Melting Pt (deg C): 118.11 (Mean or Weighted MP) VP(mm Hg,25 deg C): 2.4E-007 (Modified Grain method) Subcooled liquid VP: 2.01E-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): 8.982 log Kow used: 4.02 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 12.813 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Vinyl/Allyl Alcohols Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 4.20E-008 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 8.697E-009 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.02 (KowWin est) Log Kaw used: -5.765 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 9.785 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.5832 Biowin2 (Non-Linear Model) : 0.1667 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.5577 (weeks-months) Biowin4 (Primary Survey Model) : 3.3323 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3412 Biowin6 (MITI Non-Linear Model): 0.1162 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.7024 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): 0.000268 Pa (2.01E-006 mm Hg) Log Koa (Koawin est ): 9.785 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.0112 Octanol/air (Koa) model: 0.0015 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.288 Mackay model : 0.472 Octanol/air (Koa) model: 0.107 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 337.8967 E-12 cm3/molecule-sec Half-Life = 0.032 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 22.791 Min Ozone Reaction: OVERALL Ozone Rate Constant = 8.203750 E-17 cm3/molecule-sec Half-Life = 0.140 Days (at 7E11 mol/cm3) Half-Life = 3.353 Hrs Fraction sorbed to airborne particulates (phi): 0.38 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1452 Log Koc: 3.162 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 = 2.397 (BCF = 249.6) log Kow used: 4.02 (estimated) Volatilization from Water: Henry LC: 4.2E-008 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 2.193E+004 hours (913.6 days) Half-Life from Model Lake : 2.393E+005 hours (9972 days) Removal In Wastewater Treatment: Total removal: 30.99 percent Total biodegradation: 0.33 percent Total sludge adsorption: 30.66 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 0.0251 0.619 1000 Water 16.6 900 1000 Soil 79.2 1.8e+003 1000 Sediment 4.11 8.1e+003 0 Persistence Time: 1.13e+003 hr
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