Try beta.chemspider
1,2,3,4-Tetrahydro-1-naphthalenamine
c1ccc2c(c1)CCCC2N
InChI=1S/C10H13N/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-2,4,6,10H,3,5,7,11H2
JRZGPXSSNPTNMA-UHFFFAOYSA-N
CSID:17067, http://www.chemspider.com/Chemical-Structure.17067.html (accessed 10:02, Apr 26, 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) = 2.41 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 246.14 (Adapted Stein & Brown method) Melting Pt (deg C): 47.99 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.02 (Modified Grain method) Subcooled liquid VP: 0.0324 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): 6912 log Kow used: 2.41 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 2744.1 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Benzyl Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 5.24E-007 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 5.605E-007 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.41 (KowWin est) Log Kaw used: -4.669 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 7.079 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8860 Biowin2 (Non-Linear Model) : 0.9312 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.8234 (weeks ) Biowin4 (Primary Survey Model) : 3.6101 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3143 Biowin6 (MITI Non-Linear Model): 0.2855 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.3029 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): 4.32 Pa (0.0324 mm Hg) Log Koa (Koawin est ): 7.079 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 6.94E-007 Octanol/air (Koa) model: 2.94E-006 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 2.51E-005 Mackay model : 5.56E-005 Octanol/air (Koa) model: 0.000235 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 52.9970 E-12 cm3/molecule-sec Half-Life = 0.202 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 2.422 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 4.03E-005 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 2282 Log Koc: 3.358 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 = 1.158 (BCF = 14.39) log Kow used: 2.41 (estimated) Volatilization from Water: Henry LC: 5.24E-007 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1357 hours (56.54 days) Half-Life from Model Lake : 1.49E+004 hours (621 days) Removal In Wastewater Treatment: Total removal: 2.89 percent Total biodegradation: 0.10 percent Total sludge adsorption: 2.76 percent Total to Air: 0.03 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.477 4.84 1000 Water 27.7 360 1000 Soil 71.7 720 1000 Sediment 0.168 3.24e+003 0 Persistence Time: 448 hr
Click to predict properties on the Chemicalize site
Advertisement
Spotlight