- InChI
- InChI=1S/CH4O3S/c1-5(2,3)4/h1H3,(H,2,3,4)
- InChI Key
- AFVFQIVMOAPDHO-UHFFFAOYSA-N
- Formula
- CH4O3S
- SMILES
- CS(=O)(=O)O
- Molecular Weight1
- 96.11
- Other Names
-
- CH3SO3H
- Kyselina methansulfonova
- Methanesulphonic acid
- Methylsulfonic acid
- NSC 3718
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Tflash,cc : Flash Point (Closed Cup Method) (K).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- ΔvapH : Enthalpy of vaporization at a given temperature (kJ/mol).
- IE : Ionization energy (eV).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pvap : Vapor pressure (kPa).
- n0 : Refractive Index.
- γ : Surface Tension (N/m).
- Tboil : Normal Boiling Point Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| PAff | 761.30 | kJ/mol | NIST |
| BasG | 728.90 | kJ/mol | NIST |
| Tflash,cc | 383.15 | K | NCMS SOLV-DB |
| ΔfH°gas | -567.08 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 13.81 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 78.15 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 11.68 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | -1.224 | NCMS SOLV-DB | |
| McVol | 58.910 | ml/mol | McGowan Calculated Property |
| Tboil | 440.15 | K | NCMS SOLV-DB |
| Tfus | [293.15; 293.15] | K |
|
| Tfus | 293.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Tfus | 293.15 | K | NCMS SOLV-DB |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | 73.90 | kJ/mol | 417.50 | NIST |
| Pvap | 0.01 | kPa | 310.15 | NCMS SOLV-DB |
| n0 | 1.43000 | 298.15 | NCMS SOLV-DB |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [85.21; 158.82] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 4.05100e+01 | |||
| Coefficient B | 1.66410e-01 | |||
| Coefficient C | 4.60000e-06 | |||
| Coefficient D | -5.27000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 85.21 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 97.62 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 109.37 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 120.28 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 130.18 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 138.91 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 146.31 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 152.21 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 156.43 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 158.82 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| γ | [0.05; 0.04] | N/m | [293.15; 440.15] |
Jasper (1972), surface tension of pure liquid compounds Compiled value
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is γ in N/m, T in K | |||
| Coefficient A | 7.66723e-02 | |||
| Coefficient B | -8.93000e-05 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 293.15 | |||
| Temperature range, max. | 440.15 | |||
| γ | 0.05 | N/m | 293.15 | Calculated Property |
| γ | 0.05 | N/m | 309.48 | Calculated Property |
| γ | 0.05 | N/m | 325.82 | Calculated Property |
| γ | 0.05 | N/m | 342.15 | Calculated Property |
| γ | 0.04 | N/m | 358.48 | Calculated Property |
| γ | 0.04 | N/m | 374.82 | Calculated Property |
| γ | 0.04 | N/m | 391.15 | Calculated Property |
| γ | 0.04 | N/m | 407.48 | Calculated Property |
| γ | 0.04 | N/m | 423.82 | Calculated Property |
| γ | 0.04 | N/m | 440.15 | Calculated Property |
Similar Compounds
Find more compounds similar to METHANESULFONIC ACID.
Sources
- Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
- Jasper (1972), surface tension of pure liquid compounds ChEDL chemicals 1.5.2, from Jasper, J. J. The Surface Tension of Pure Liquid Compounds. J. Phys. Chem. Ref. Data 1972, 1, 841-1010 (as transcribed in Lange's Handbook).
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- NCMS SOLV-DB
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