Found 25 results

Search term: MF = 'C_{26}H_{44}N_{2}'

ChemSpider 2D Image | 4-Tetradecyl-1,2,3,4,5,6,7,8-octahydro-9H-cyclopenta[b]quinolin-9-imine | C26H44N2

4-Tetradecyl-1,2,3,4,5,6,7,8-octahydro-9H-cyclopenta[b]quinolin-9-imine

  • Molecular FormulaC26H44N2
  • Average mass384.641 Da
  • Monoisotopic mass384.350464 Da
  • ChemSpider ID18312228

More details:






Validated by Experts, Validated by Users, Non-Validated, Removed by Users

4-Tetradecyl-1,2,3,4,5,6,7,8-octahydro-9H-cyclopenta[b]chinolin-9-imin [German] [ACD/IUPAC Name]
4-Tétradécyl-1,2,3,4,5,6,7,8-octahydro-9H-cyclopenta[b]quinoléin-9-imine [French] [ACD/IUPAC Name]
4-Tetradecyl-1,2,3,4,5,6,7,8-octahydro-9H-cyclopenta[b]quinolin-9-imine [ACD/IUPAC Name]
4-Tetradecyl-1,2,3,4,5,6,7,8-octahydro-cyclopenta[b]quinolin-9-ylideneamine
9H-Cyclopenta[b]quinolin-9-imine, 1,2,3,4,5,6,7,8-octahydro-4-tetradecyl- [ACD/Index Name]
487013-63-8 [RN]
4-tetradecyl-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-imine
AC1MJDGU
AGN-PC-0KPDQU
AKOS005383125
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

BAS 00526184 [DBID]

    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.0±0.1 g/cm3
    Boiling Point: 510.2±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.3 mmHg at 25°C
    Enthalpy of Vaporization: 78.1±3.0 kJ/mol
    Flash Point: 262.4±30.1 °C
    Index of Refraction: 1.561
    Molar Refractivity: 120.4±0.5 cm3
    #H bond acceptors: 2
    #H bond donors: 1
    #Freely Rotating Bonds: 13
    #Rule of 5 Violations: 1
    ACD/LogP: 7.77
    ACD/LogD (pH 5.5): 6.57
    ACD/BCF (pH 5.5): 19296.33
    ACD/KOC (pH 5.5): 10983.16
    ACD/LogD (pH 7.4): 6.58
    ACD/BCF (pH 7.4): 19525.05
    ACD/KOC (pH 7.4): 11113.34
    Polar Surface Area: 27 Å2
    Polarizability: 47.7±0.5 10-24cm3
    Surface Tension: 38.6±7.0 dyne/cm
    Molar Volume: 372.1±7.0 cm3

    Predicted data is generated using the US Environmental Protection Agency�s EPISuite™

                            
     Log Octanol-Water Partition Coef (SRC):
        Log Kow (KOWWIN v1.67 estimate) =  10.51
    
     Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
        Boiling Pt (deg C):  472.94  (Adapted Stein & Brown method)
        Melting Pt (deg C):  199.96  (Mean or Weighted MP)
        VP(mm Hg,25 deg C):  1.88E-009  (Modified Grain method)
        Subcooled liquid VP: 1.32E-007 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):  0.002641
           log Kow used: 7.21 (estimated)
           no-melting pt equation used
    
     Water Sol Estimate from Fragments:
        Wat Sol (v1.01 est) =  4.6795e-005 mg/L
    
     ECOSAR Class Program (ECOSAR v0.99h):
        Class(es) found:
           Aliphatic Amines
           Schiff Bases
    
     Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
       Bond Method :   2.99E-004  atm-m3/mole
       Group Method:   Incomplete
     Henrys LC [VP/WSol estimate using EPI values]:  3.603E-007 atm-m3/mole
    
     Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
      Log Kow used:  10.51  (KowWin est)
      Log Kaw used:  -1.913  (HenryWin est)
          Log Koa (KOAWIN v1.10 estimate):  12.423
          Log Koa (experimental database):  None
    
     Probability of Rapid Biodegradation (BIOWIN v4.10):
       Biowin1 (Linear Model)         :   0.4676
       Biowin2 (Non-Linear Model)     :   0.0556
     Expert Survey Biodegradation Results:
       Biowin3 (Ultimate Survey Model):   2.3927  (weeks-months)
       Biowin4 (Primary Survey Model) :   3.2738  (days-weeks  )
     MITI Biodegradation Probability:
       Biowin5 (MITI Linear Model)    :   0.2639
       Biowin6 (MITI Non-Linear Model):   0.1034
     Anaerobic Biodegradation Probability:
       Biowin7 (Anaerobic Linear Model): -1.1383
     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):  1.76E-005 Pa (1.32E-007 mm Hg)
      Log Koa (Koawin est  ): 12.423
       Kp (particle/gas partition coef. (m3/ug)):
           Mackay model           :  0.17 
           Octanol/air (Koa) model:  0.65 
       Fraction sorbed to airborne particulates (phi):
           Junge-Pankow model     :  0.86 
           Mackay model           :  0.932 
           Octanol/air (Koa) model:  0.981 
    
     Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
       Hydroxyl Radicals Reaction:
          OVERALL OH Rate Constant = 233.0422 E-12 cm3/molecule-sec
          Half-Life =     0.046 Days (12-hr day; 1.5E6 OH/cm3)
          Half-Life =     0.551 Hrs
       Ozone Reaction:
          OVERALL Ozone Rate Constant =    14.787499 E-17 cm3/molecule-sec
          Half-Life =     0.077 Days (at 7E11 mol/cm3)
          Half-Life =      1.860 Hrs
       Fraction sorbed to airborne particulates (phi): 0.896 (Junge,Mackay)
        Note: the sorbed fraction may be resistant to atmospheric oxidation
    
     Soil Adsorption Coefficient (PCKOCWIN v1.66):
          Koc    :  4.001E+007
          Log Koc:  7.602 
    
     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 = 3.020 (BCF = 1046)
           log Kow used: 7.21 (estimated)
    
     Volatilization from Water:
        Henry LC:  0.000299 atm-m3/mole  (estimated by Bond SAR Method)
        Half-Life from Model River:      5.842  hours
        Half-Life from Model Lake :      228.2  hours   (9.507 days)
    
     Removal In Wastewater Treatment:
        Total removal:              94.04  percent
        Total biodegradation:        0.78  percent
        Total sludge adsorption:    93.26  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       0.0103          0.692        1000       
       Water     1.89            900          1000       
       Soil      28.4            1.8e+003     1000       
       Sediment  69.7            8.1e+003     0          
         Persistence Time: 3.12e+003 hr
    
    
    
    
                        

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