Found 1 result

Search term: 117671-01-9 (Found by approved synonym)

ChemSpider 2D Image | 3-(Ethylsulfonyl)-2-pyridinesulfonamide | C7H10N2O4S2

3-(Ethylsulfonyl)-2-pyridinesulfonamide

  • Molecular FormulaC7H10N2O4S2
  • Average mass250.295 Da
  • Monoisotopic mass250.008194 Da
  • ChemSpider ID143862

More details:






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

117671-01-9 [RN]
2-Pyridinesulfonamide, 3-(ethylsulfonyl)- [ACD/Index Name]
3-(Ethylsulfonyl)-2-pyridinesulfonamide [ACD/IUPAC Name]
3-(Éthylsulfonyl)-2-pyridinesulfonamide [French] [ACD/IUPAC Name]
3-(Ethylsulfonyl)-2-pyridinsulfonamid [German] [ACD/IUPAC Name]
3-(Ethylsulfonyl)pyridine-2-sulfonamide [ACD/IUPAC Name]
T6NJ BSZW CSW2 [WLN]
[117671-01-9]
3-(ethanesulfonyl)pyridine-2-sulfonamide
http://en.atomaxchem.com/117671-01-9.html
More...

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

FO389IU6CH [DBID]
CCRIS 4693 [DBID]
UNII:FO389IU6CH [DBID]
UNII-FO389IU6CH [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Appearance:

      Not Available Novochemy [NC-27812]
    • Safety:

      20/21/22 Novochemy [NC-27812]
      20/21/36/37/39 Novochemy [NC-27812]
      GHS07; GHS09 Novochemy [NC-27812]
      H332; H403 Novochemy [NC-27812]
      IRRITANT Matrix Scientific 090677
      P332+P313; P305+P351+P338 Novochemy [NC-27812]
      R52/53 Novochemy [NC-27812]
      Warning Novochemy [NC-27812]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point: 544.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.3±3.0 kJ/mol
Flash Point: 283.0±32.9 °C
Index of Refraction: 1.562
Molar Refractivity: 55.1±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -0.04
ACD/LogD (pH 5.5): 0.12
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 27.80
ACD/LogD (pH 7.4): 0.09
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 25.50
Polar Surface Area: 124 Å2
Polarizability: 21.8±0.5 10-24cm3
Surface Tension: 56.9±3.0 dyne/cm
Molar Volume: 169.9±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) =  -0.91

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  410.31  (Adapted Stein & Brown method)
    Melting Pt (deg C):  170.70  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  1.45E-007  (Modified Grain method)
    Subcooled liquid VP: 4.66E-006 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):  1.248e+004
       log Kow used: -0.91 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  1e+006 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   6.61E-012  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  3.826E-012 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  -0.91  (KowWin est)
  Log Kaw used:  -9.568  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  8.658
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.4738
   Biowin2 (Non-Linear Model)     :   0.1012
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.4319  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.4679  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.0085
   Biowin6 (MITI Non-Linear Model):   0.0127
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  1.1373
 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):  0.000621 Pa (4.66E-006 mm Hg)
  Log Koa (Koawin est  ): 8.658
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.00483 
       Octanol/air (Koa) model:  0.000112 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.149 
       Mackay model           :  0.279 
       Octanol/air (Koa) model:  0.00886 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   7.4694 E-12 cm3/molecule-sec
      Half-Life =     1.432 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    17.184 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 0.214 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  217.9
      Log Koc:  2.338 

 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 = 0.500 (BCF = 3.162)
       log Kow used: -0.91 (estimated)

 Volatilization from Water:
    Henry LC:  6.61E-012 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 1.401E+008  hours   (5.839E+006 days)
    Half-Life from Model Lake : 1.529E+009  hours   (6.37E+007 days)

 Removal In Wastewater Treatment:
    Total removal:               1.85  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.75  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       0.000113        34.4         1000       
   Water     46.4            900          1000       
   Soil      53.5            1.8e+003     1000       
   Sediment  0.0891          8.1e+003     0          
     Persistence Time: 974 hr




                    

Click to predict properties on the Chemicalize site






Advertisement