Found 1 result

Search term: 27375-52-6 (Found by approved synonym)
ChemSpider 2D Image | N-[4-(2-HYDROXYETHANESULFONYL)PHENYL]ACETAMIDE | C10H13NO4S

N-[4-(2-HYDROXYETHANESULFONYL)PHENYL]ACETAMIDE

  • Molecular FormulaC10H13NO4S
  • Average mass243.279 Da
  • Monoisotopic mass243.056534 Da
  • ChemSpider ID31150

More details:

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

27375-52-6 [RN]
Acetamide, N-[4-[(2-hydroxyethyl)sulfonyl]phenyl]- [ACD/Index Name]
N-[4-(2-HYDROXYETHANESULFONYL)PHENYL]ACETAMIDE
N-[4-[(2-Hydroxyethyl)sulfonyl]phenyl]acetamide
N-{4-[(2-Hydroxyethyl)sulfonyl]phenyl}acetamid [German] [ACD/IUPAC Name]
N-{4-[(2-Hydroxyethyl)sulfonyl]phenyl}acetamide [ACD/IUPAC Name]
N-{4-[(2-Hydroxyéthyl)sulfonyl]phényl}acétamide [French] [ACD/IUPAC Name]
[27375-52-6] [RN]
248-433-6 [EINECS]
3-13-00-01276 [Beilstein]
More...

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

BRN 2742434 [DBID]
TimTec1_001025 [DBID]
ZINC00061071 [DBID]

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 553.2±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.6 mmHg at 25°C
    Enthalpy of Vaporization: 87.8±3.0 kJ/mol
    Flash Point: 288.3±30.1 °C
    Index of Refraction: 1.581
    Molar Refractivity: 59.4±0.4 cm3
    #H bond acceptors: 5
    #H bond donors: 2
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 0.24
    ACD/LogD (pH 5.5): 0.00
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 23.92
    ACD/LogD (pH 7.4): 0.00
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 23.92
    Polar Surface Area: 92 Å2
    Polarizability: 23.5±0.5 10-24cm3
    Surface Tension: 58.1±3.0 dyne/cm
    Molar Volume: 178.3±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) =  -0.45

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  454.80  (Adapted Stein & Brown method)
    Melting Pt (deg C):  191.49  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  7.83E-011  (Modified Grain method)
    Subcooled liquid VP: 4.37E-009 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):  6.294e+004
       log Kow used: -0.45 (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 :   6.94E-017  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  3.982E-016 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  -0.45  (KowWin est)
  Log Kaw used:  -14.547  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  14.097
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   1.0006
   Biowin2 (Non-Linear Model)     :   0.9665
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.7673  (weeks       )
   Biowin4 (Primary Survey Model) :   3.8316  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.4083
   Biowin6 (MITI Non-Linear Model):   0.2230
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.0083
 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):  5.83E-007 Pa (4.37E-009 mm Hg)
  Log Koa (Koawin est  ): 14.097
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  5.15 
       Octanol/air (Koa) model:  30.7 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.995 
       Mackay model           :  0.998 
       Octanol/air (Koa) model:  1 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  15.8783 E-12 cm3/molecule-sec
      Half-Life =     0.674 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     8.083 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 0.996 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  10
      Log Koc:  1.000 

 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: -0.45 (estimated)

 Volatilization from Water:
    Henry LC:  6.94E-017 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 1.316E+013  hours   (5.483E+011 days)
    Half-Life from Model Lake : 1.435E+014  hours   (5.981E+012 days)

 Removal In Wastewater Treatment:
    Total removal:               1.85  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.76  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       4.25e-007       16.2         1000       
   Water     38.8            360          1000       
   Soil      61.1            720          1000       
   Sediment  0.0712          3.24e+003    0          
     Persistence Time: 580 hr

    Click to predict properties on the Chemicalize site


    Advertisement