ChemSpider 2D Image | Methanesulfonic acid | CH4O3S

Methanesulfonic acid

  • Molecular FormulaCH4O3S
  • Average mass96.106 Da
  • Monoisotopic mass95.988113 Da
  • ChemSpider ID6155

More details:

Featured data source

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

200-898-6 [EINECS]
75-75-2 [RN]
Acide méthanesulfonique [French] [ACD/IUPAC Name]
CH3SO3H [Formula]
Kyselina methansulfonova [Czech]
Mesic acid
methane sulfonic acid
Methanesulfonic acid [ACD/Index Name] [ACD/IUPAC Name] [Wiki]

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

17834_FLUKA [DBID]
471348_SIAL [DBID]
471356_SIAL [DBID]
55517_FLUKA [DBID]
95491_FLUKA [DBID]
AI3-28532 [DBID]
AI3-62914 [DBID]
BRN 1446024 [DBID]
C11145 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Appearance:

      colourless or light yellow liquid Oxford University Chemical Safety Data (No longer updated) More details
      Not Available Novochemy [NC-46084]
    • Stability:

      Stable. Moisture sensitive. Incompatible with amines, bases, water, common metals.Releases a substantial amount of heat when diluted with water (add acid to water with careif diluting). Oxford University Chemical Safety Data (No longer updated) More details
    • Toxicity:

      ORL-RAT LD50 200 mg kg-1, SKN-GPG LD50 >2000 mg kg-1 Oxford University Chemical Safety Data (No longer updated) More details
    • Safety:

      20/21/22 Novochemy [NC-46084]
      20/21/36/37/39 Novochemy [NC-46084]
      20-23-26-36/37/39-45-60 Alfa Aesar A17803
      26-36-45 Alfa Aesar A13565
      34 Alfa Aesar A13565, A17803
      8 Alfa Aesar A13565, A17803
      Corrosive/Harmful/Irritant/Light Sensitive/Hygroscopic/Store under Argon SynQuest 6164-1-17
      Danger Alfa Aesar A13565, A17803
      DANGER: CORROSIVE, burns skin and eyes Alfa Aesar A13565, A17803
      DANGER: CORROSIVE, POISON, irritates skin and eyes Alfa Aesar A13565
      GHS07; GHS09 Novochemy [NC-46084]
      H314 Alfa Aesar A13565, A17803
      H332; H403 Novochemy [NC-46084]
      P102; P210; P262; P270; P302+P352; P308+P313 Novochemy [NC-46084]
      P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501a Alfa Aesar A13565, A17803
      R52/1498 Novochemy [NC-46084]
      Safety glasses, adequate ventilation. Oxford University Chemical Safety Data (No longer updated) More details
      Warning Novochemy [NC-46084]
    • Chemical Class:

      An alkanesulfonic acid in which the alkyl group directly linked to the sulfo functionality is methyl. ChEBI CHEBI:27376

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.448
Molar Refractivity: 17.0±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: -1.89
ACD/LogD (pH 5.5): -5.20
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.39
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 63 Å2
Polarizability: 6.7±0.5 10-24cm3
Surface Tension: 53.4±3.0 dyne/cm
Molar Volume: 63.6±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) =  -2.38

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  216.66  (Adapted Stein & Brown method)
    Melting Pt (deg C):  25.77  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.0267  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  20 deg C
    BP  (exp database):  167 @ 10 mm Hg deg C
    VP  (exp database):  4.28E-04 mm Hg at 25 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  1e+006
       log Kow used: -2.38 (estimated)
       no-melting pt equation used
     Water Sol (Exper. database match) =  1e+006 mg/L (20 deg C)
        Exper. Ref:  SEIDELL,A (1941)

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  1e+006 mg/L
    Wat Sol (Exper. database match) =  1000000.00
       Exper. Ref:  SEIDELL,A (1941)

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   1.26E-008  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  3.376E-009 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  -2.38  (KowWin est)
  Log Kaw used:  -6.288  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  3.908
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.8102
   Biowin2 (Non-Linear Model)     :   0.9998
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.1794  (weeks       )
   Biowin4 (Primary Survey Model) :   3.8862  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.4267
   Biowin6 (MITI Non-Linear Model):   0.4429
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.7565
 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):  0.0571 Pa (0.000428 mm Hg)
  Log Koa (Koawin est  ): 3.908
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  5.26E-005 
       Octanol/air (Koa) model:  1.99E-009 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.0019 
       Mackay model           :  0.00419 
       Octanol/air (Koa) model:  1.59E-007 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   0.2760 E-12 cm3/molecule-sec
      Half-Life =    38.754 Days (12-hr day; 1.5E6 OH/cm3)
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 0.00304 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  1
      Log Koc:  0.000 

 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: -2.38 (estimated)

 Volatilization from Water:
    Henry LC:  1.26E-008 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 4.555E+004  hours   (1898 days)
    Half-Life from Model Lake :  4.97E+005  hours   (2.071E+004 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       0.291           930          1000       
   Water     39.2            360          1000       
   Soil      60.4            720          1000       
   Sediment  0.0718          3.24e+003    0          
     Persistence Time: 568 hr


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