Try beta.chemspider
4b,5,6,7,8,8a,9,10-Octahydro-9-phenanthrenamine
c1ccc2c(c1)CC(C3C2CCCC3)N
InChI=1S/C14H19N/c15-14-9-10-5-1-2-6-11(10)12-7-3-4-8-13(12)14/h1-2,5-6,12-14H,3-4,7-9,15H2
AYDLLTAYHUEOLG-UHFFFAOYSA-N
CSID:19992974, http://www.chemspider.com/Chemical-Structure.19992974.html (accessed 04:38, Apr 27, 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) = 3.21 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 309.28 (Adapted Stein & Brown method) Melting Pt (deg C): 85.01 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.000317 (Modified Grain method) Subcooled liquid VP: 0.00119 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): 794.4 log Kow used: 3.21 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 71.712 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 7.18E-007 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.057E-007 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.21 (KowWin est) Log Kaw used: -4.532 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 7.742 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.9149 Biowin2 (Non-Linear Model) : 0.9179 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.6290 (weeks-months) Biowin4 (Primary Survey Model) : 3.4635 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2177 Biowin6 (MITI Non-Linear Model): 0.0941 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.0273 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): 0.159 Pa (0.00119 mm Hg) Log Koa (Koawin est ): 7.742 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.89E-005 Octanol/air (Koa) model: 1.36E-005 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.000682 Mackay model : 0.00151 Octanol/air (Koa) model: 0.00108 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 67.4723 E-12 cm3/molecule-sec Half-Life = 0.159 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.902 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.0011 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 2.587E+004 Log Koc: 4.413 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 = 1.773 (BCF = 59.23) log Kow used: 3.21 (estimated) Volatilization from Water: Henry LC: 7.18E-007 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1158 hours (48.27 days) Half-Life from Model Lake : 1.276E+004 hours (531.5 days) Removal In Wastewater Treatment: Total removal: 7.96 percent Total biodegradation: 0.14 percent Total sludge adsorption: 7.78 percent Total to Air: 0.04 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.164 3.8 1000 Water 18.7 900 1000 Soil 80.5 1.8e+003 1000 Sediment 0.686 8.1e+003 0 Persistence Time: 1.04e+003 hr
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