Found 178 results

Search term: MF = 'C_{24}H_{34}N_{2}O_{4}S_{2}'
ChemSpider 2D Image | N,N'-Bis(2-cyclopentylethyl)-1,5-naphthalenedisulfonamide | C24H34N2O4S2

N,N'-Bis(2-cyclopentylethyl)-1,5-naphthalenedisulfonamide

  • Molecular FormulaC24H34N2O4S2
  • Average mass478.668 Da
  • Monoisotopic mass478.195984 Da
  • ChemSpider ID3514662

More details:

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

1,5-Naphthalenedisulfonamide, N1,N5-bis(2-cyclopentylethyl)- [ACD/Index Name]
N,N'-Bis(2-cyclopentyléthyl)-1,5-naphtalènedisulfonamide [French] [ACD/IUPAC Name]
N,N'-Bis(2-cyclopentylethyl)-1,5-naphthalenedisulfonamide [ACD/IUPAC Name]
N,N'-Bis(2-cyclopentylethyl)-1,5-naphthalindisulfonamid [German] [ACD/IUPAC Name]
(2-cyclopentylethyl)[(5-{[(2-cyclopentylethyl)amino]sulfonyl}naphthyl)sulfonyl]amine
1,5-naphthalenedisulfonamide, N,N'-bis(2-cyclopentylethyl)-
1-N,5-N-bis(2-cyclopentylethyl)naphthalene-1,5-disulfonamide
348592-58-5 [RN]
MFCD00754756
N,N'-bis(2-cyclopentylethyl)naphthalene-1,5-disulfonamide
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

A2685/0114483 [DBID]

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 659.2±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.0 mmHg at 25°C
    Enthalpy of Vaporization: 97.0±3.0 kJ/mol
    Flash Point: 352.5±34.3 °C
    Index of Refraction: 1.586
    Molar Refractivity: 129.9±0.4 cm3
    #H bond acceptors: 6
    #H bond donors: 2
    #Freely Rotating Bonds: 10
    #Rule of 5 Violations: 1
    ACD/LogP: 6.07
    ACD/LogD (pH 5.5): 5.79
    ACD/BCF (pH 5.5): 14919.48
    ACD/KOC (pH 5.5): 33818.91
    ACD/LogD (pH 7.4): 5.79
    ACD/BCF (pH 7.4): 14912.33
    ACD/KOC (pH 7.4): 33802.68
    Polar Surface Area: 109 Å2
    Polarizability: 51.5±0.5 10-24cm3
    Surface Tension: 48.2±3.0 dyne/cm
    Molar Volume: 387.2±3.0 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) =  6.38

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  635.84  (Adapted Stein & Brown method)
    Melting Pt (deg C):  276.05  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  1.44E-014  (Modified Grain method)
    Subcooled liquid VP: 8.47E-012 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):  0.003512
       log Kow used: 6.38 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.0059317 mg/L

 ECOSAR Class Program (ECOSAR v0.99h):
    Class(es) found:
       Neutral Organics

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   9.07E-011  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  2.582E-012 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  6.38  (KowWin est)
  Log Kaw used:  -8.431  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  14.811
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.5197
   Biowin2 (Non-Linear Model)     :   0.0221
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.1414  (months      )
   Biowin4 (Primary Survey Model) :   3.1571  (weeks       )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :  -0.2822
   Biowin6 (MITI Non-Linear Model):   0.0007
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.5137
 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):  1.13E-009 Pa (8.47E-012 mm Hg)
  Log Koa (Koawin est  ): 14.811
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  2.66E+003 
       Octanol/air (Koa) model:  159 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1 
       Mackay model           :  1 
       Octanol/air (Koa) model:  1 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  37.0372 E-12 cm3/molecule-sec
      Half-Life =     0.289 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     3.465 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 1 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  5.569E+006
      Log Koc:  6.746 

 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 = 4.210 (BCF = 1.622e+004)
       log Kow used: 6.38 (estimated)

 Volatilization from Water:
    Henry LC:  9.07E-011 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 1.412E+007  hours   (5.885E+005 days)
    Half-Life from Model Lake : 1.541E+008  hours   (6.42E+006 days)

 Removal In Wastewater Treatment:
    Total removal:              93.24  percent
    Total biodegradation:        0.77  percent
    Total sludge adsorption:    92.47  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       0.0525          6.93         1000       
   Water     2.02            1.44e+003    1000       
   Soil      36.4            2.88e+003    1000       
   Sediment  61.5            1.3e+004     0          
     Persistence Time: 4.53e+003 hr

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