Try beta.chemspider
Tetradecahydroacridine
C1CCC2C(C1)CC3CCCCC3N2
InChI=1S/C13H23N/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12/h10-14H,1-9H2
IXTPCSZJZAKJTO-UHFFFAOYSA-N
CSID:123581, http://www.chemspider.com/Chemical-Structure.123581.html (accessed 22:48, Jul 8, 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) = 3.23 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 281.71 (Adapted Stein & Brown method) Melting Pt (deg C): 67.26 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.00206 (Modified Grain method) Subcooled liquid VP: 0.00512 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): 840.4 log Kow used: 3.23 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 379.86 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.22E-005 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 6.236E-007 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.23 (KowWin est) Log Kaw used: -2.881 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 6.111 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8093 Biowin2 (Non-Linear Model) : 0.7979 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.7964 (weeks ) Biowin4 (Primary Survey Model) : 3.6121 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3976 Biowin6 (MITI Non-Linear Model): 0.1507 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.0911 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): 0.683 Pa (0.00512 mm Hg) Log Koa (Koawin est ): 6.111 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 4.39E-006 Octanol/air (Koa) model: 3.17E-007 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.000159 Mackay model : 0.000351 Octanol/air (Koa) model: 2.54E-005 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 137.5291 E-12 cm3/molecule-sec Half-Life = 0.078 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.933 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.000255 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.152E+004 Log Koc: 4.061 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 = 1.787 (BCF = 61.24) log Kow used: 3.23 (estimated) Volatilization from Water: Henry LC: 3.22E-005 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 26.7 hours (1.113 days) Half-Life from Model Lake : 407.9 hours (16.99 days) Removal In Wastewater Treatment: Total removal: 9.73 percent Total biodegradation: 0.14 percent Total sludge adsorption: 7.98 percent Total to Air: 1.61 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.216 1.87 1000 Water 23.6 360 1000 Soil 75.6 720 1000 Sediment 0.611 3.24e+003 0 Persistence Time: 446 hr
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