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9-[3-(Isopropylamino)propyl]-9H-fluorene-9-carboxamide
CC(C)NCCCC1(c2ccccc2-c3c1cccc3)C(=O)N
InChI=1S/C20H24N2O/c1-14(2)22-13-7-12-20(19(21)23)17-10-5-3-8-15(17)16-9-4-6-11-18(16)20/h3-6,8-11,14,22H,7,12-13H2,1-2H3,(H2,21,23)
UCEWGESNIULAGX-UHFFFAOYSA-N
CSID:47194, http://www.chemspider.com/Chemical-Structure.47194.html (accessed 21:54, Jun 15, 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) = 3.52 Log Kow (Exper. database match) = 3.11 Exper. Ref: Mannhold,R et al. (1990) Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 485.83 (Adapted Stein & Brown method) Melting Pt (deg C): 205.98 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.34E-008 (Modified Grain method) MP (exp database): 94-95 deg C Subcooled liquid VP: 6.25E-008 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): 1.879 log Kow used: 3.11 (expkow database) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 24.596 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.37E-014 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.894E-009 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.11 (exp database) Log Kaw used: -12.014 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 15.124 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7808 Biowin2 (Non-Linear Model) : 0.6697 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.2757 (weeks-months) Biowin4 (Primary Survey Model) : 3.4980 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.1862 Biowin6 (MITI Non-Linear Model): 0.0396 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.8992 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): 8.33E-006 Pa (6.25E-008 mm Hg) Log Koa (Koawin est ): 15.124 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.36 Octanol/air (Koa) model: 327 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.929 Mackay model : 0.966 Octanol/air (Koa) model: 1 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 108.0814 E-12 cm3/molecule-sec Half-Life = 0.099 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.188 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.948 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 2.819E+005 Log Koc: 5.450 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 = 1.695 (BCF = 49.51) log Kow used: 3.11 (expkow database) Volatilization from Water: Henry LC: 2.37E-014 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 4.339E+010 hours (1.808E+009 days) Half-Life from Model Lake : 4.733E+011 hours (1.972E+010 days) Removal In Wastewater Treatment: Total removal: 6.74 percent Total biodegradation: 0.13 percent Total sludge adsorption: 6.61 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 3.76e-007 2.38 1000 Water 12.5 900 1000 Soil 87.2 1.8e+003 1000 Sediment 0.364 8.1e+003 0 Persistence Time: 1.8e+003 hr
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