Found 178 results

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

1,1'-(1,5-Naphthalenediyldisulfonyl)bis(2-ethylpiperidine)

  • Molecular FormulaC24H34N2O4S2
  • Average mass478.668 Da
  • Monoisotopic mass478.195984 Da
  • ChemSpider ID2125526

More details:

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

1,1'-(1,5-Naphtalènediyldisulfonyl)bis(2-éthylpipéridine) [French] [ACD/IUPAC Name]
1,1'-(1,5-Naphthalenediyldisulfonyl)bis(2-ethylpiperidine) [ACD/IUPAC Name]
1,1'-(1,5-Naphthalindiyldisulfonyl)bis(2-ethylpiperidin) [German] [ACD/IUPAC Name]
1,1'-(Naphthalene-1,5-diyldisulfonyl)bis(2-ethylpiperidine)
Piperidine, 1,1'-(1,5-naphthalenediyldisulfonyl)bis[2-ethyl- [ACD/Index Name]
2-ethyl-1-({5-[(2-ethylpiperidin-1-yl)sulfonyl]naphthalen-1-yl}sulfonyl)piperidine
2-ethyl-1-({5-[(2-ethylpiperidyl)sulfonyl]naphthyl}sulfonyl)piperidine
313960-95-1 [RN]

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

BAS 00464139 [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: 641.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.7±3.0 kJ/mol
Flash Point: 341.7±34.3 °C
Index of Refraction: 1.584
Molar Refractivity: 130.4±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.77
ACD/LogD (pH 5.5): 5.71
ACD/BCF (pH 5.5): 12936.74
ACD/KOC (pH 5.5): 30537.45
ACD/LogD (pH 7.4): 5.71
ACD/BCF (pH 7.4): 12936.74
ACD/KOC (pH 7.4): 30537.45
Polar Surface Area: 92 Å2
Polarizability: 51.7±0.5 10-24cm3
Surface Tension: 46.5±3.0 dyne/cm
Molar Volume: 389.4±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) =  5.82

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  621.71  (Adapted Stein & Brown method)
    Melting Pt (deg C):  269.45  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  4.1E-014  (Modified Grain method)
    Subcooled liquid VP: 1.99E-011 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):  0.01056
       log Kow used: 5.82 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.0072763 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   2.48E-010  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  2.445E-012 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  5.82  (KowWin est)
  Log Kaw used:  -7.994  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  13.814
      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)    :  -0.3802
   Biowin6 (MITI Non-Linear Model):   0.0003
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.7249
 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):  2.65E-009 Pa (1.99E-011 mm Hg)
  Log Koa (Koawin est  ): 13.814
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.13E+003 
       Octanol/air (Koa) model:  16 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1 
       Mackay model           :  1 
       Octanol/air (Koa) model:  0.999 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  88.0574 E-12 cm3/molecule-sec
      Half-Life =     0.121 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     1.458 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    :  2.961E+006
      Log Koc:  6.471 

 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 = 3.779 (BCF = 6013)
       log Kow used: 5.82 (estimated)

 Volatilization from Water:
    Henry LC:  2.48E-010 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 5.165E+006  hours   (2.152E+005 days)
    Half-Life from Model Lake : 5.635E+007  hours   (2.348E+006 days)

 Removal In Wastewater Treatment:
    Total removal:              91.21  percent
    Total biodegradation:        0.76  percent
    Total sludge adsorption:    90.45  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       0.0332          2.92         1000       
   Water     3.6             1.44e+003    1000       
   Soil      42              2.88e+003    1000       
   Sediment  54.3            1.3e+004     0          
     Persistence Time: 3.61e+003 hr

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