ChemSpider 2D Image | Chlorosulfonic acid | HClO3S

Chlorosulfonic acid

  • Molecular FormulaHClO3S
  • Average mass116.524 Da
  • Monoisotopic mass115.933495 Da
  • ChemSpider ID23040

More details:

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

Chlorosulfonic acid [Wiki]
Chlorosulphuric acid
Acide sulfurochloridique [French] [ACD/IUPAC Name]
Chlorosulfuric acid (HSO3) [ACD/Index Name]
Sulfurochloridic acid [ACD/IUPAC Name]
Sulfurochloridsäure [German] [ACD/IUPAC Name]
127529-03-7 [RN]
232-234-6 [EINECS]
232-245-6 [EINECS]
7790-94-5 [RN]

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

26388_FLUKA [DBID]
481289_SIAL [DBID]
571024_SIAL [DBID]
UN1754 [DBID]
UN2240 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Appearance:

      colourless to light yellow liquid Oxford University Chemical Safety Data (No longer updated) More details
    • Stability:

      Stable, but reacts violently with water. In case ofspills, mop up with sand - do not add water. Reacts with most metalsto yield (flammable) hydrogen gas. Incompatible with strong bases,carbonates, wat er, combustible materials, strong oxidizingagents, most metals, organic materials, sulfides, cyanides, carbides. Oxford University Chemical Safety Data (No longer updated) More details
    • Safety:

      14-35-37 Alfa Aesar 87977
      26-45 Alfa Aesar 87977
      DANGER: CORROSIVE, burns skin and eyes Alfa Aesar 87977
      Safety glasses or face mask. Adequate ventilation. Oxford University Chemical Safety Data (No longer updated) More details

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

Density: 2.0±0.1 g/cm3
Boiling Point: 158.0±9.0 °C at 760 mmHg
Vapour Pressure: 1.4±0.6 mmHg at 25°C
Enthalpy of Vaporization: 43.5±6.0 kJ/mol
Flash Point:
Index of Refraction: 1.501
Molar Refractivity: 17.2±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 0.11
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 63 Å2
Polarizability: 6.8±0.5 10-24cm3
Surface Tension: 72.4±3.0 dyne/cm
Molar Volume: 58.5±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) =  -0.00

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  589.30  (Adapted Stein & Brown method)
    Melting Pt (deg C):  254.31  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.861  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  -80 deg C
    BP  (exp database):  158 deg C
    VP  (exp database):  7.50E-01 mm Hg at 20 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  1.04e+005
       log Kow used: -0.00 (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:
       Acid Chloride/Halide

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   8.84E-008  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  1.269E-006 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  0.00  (KowWin est)
  Log Kaw used:  -5.442  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  5.442
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6921
   Biowin2 (Non-Linear Model)     :   0.7948
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.9417  (weeks       )
   Biowin4 (Primary Survey Model) :   3.6796  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.3655
   Biowin6 (MITI Non-Linear Model):   0.3019
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.8361
 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):  100 Pa (0.75 mm Hg)
  Log Koa (Koawin est  ): 5.442
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  3E-008 
       Octanol/air (Koa) model:  6.79E-008 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1.08E-006 
       Mackay model           :  2.4E-006 
       Octanol/air (Koa) model:  5.43E-006 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   0.1400 E-12 cm3/molecule-sec
      Half-Life =    76.400 Days (12-hr day; 1.5E6 OH/cm3)
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 1.74E-006 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  6.124
      Log Koc:  0.787 

 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: -0.00 (estimated)

 Volatilization from Water:
    Henry LC:  8.84E-008 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:       7150  hours   (297.9 days)
    Half-Life from Model Lake : 7.809E+004  hours   (3254 days)

 Removal In Wastewater Treatment:
    Total removal:               1.86  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.76  percent
    Total to Air:                0.01  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       1.74            1.83e+003    1000       
   Water     39.8            360          1000       
   Soil      58.4            720          1000       
   Sediment  0.0734          3.24e+003    0          
     Persistence Time: 525 hr


Click to predict properties on the Chemicalize site

Feedback Form