- InChI
- InChI=1S/C4H9ClO2S/c1-2-3-4-8(5,6)7/h2-4H2,1H3
- InChI Key
- WEDIIKBPDQQQJU-UHFFFAOYSA-N
- Formula
- C4H9ClO2S
- SMILES
- CCCCS(=O)(=O)Cl
- Molecular Weight1
- 156.63
- CAS
- 2386-60-9
- Other Names
-
- 1-Butylsulfonyl chloride
- Butane-1-sulfonyl chloride
- Butanesulfonyl chloride
- Butylsulfonyl chloride
- butane-1-sulphonyl chloride
- Cp,gas : Ideal gas heat capacity (J/mol×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).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pvap : Vapor pressure (kPa).
- Tboil : Normal Boiling Point Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -451.29 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 21.69 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 55.70 | kJ/mol | NIST |
| logPoct/wat | 1.355 | Crippen Calculated Property | |
| McVol | 107.550 | ml/mol | McGowan Calculated Property |
| Tboil | 468.31 | K | Relay (1.0) Calculated Property |
| Tfus | 244.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, 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 | [52.90; 60.20] | kJ/mol | [268.00; 423.50] | 
|
| ΔvapH | 60.20 | kJ/mol | 268.00 | NIST |
| ΔvapH | 52.90 | kJ/mol | 423.50 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [149.76; 303.19] | 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 | 4.53830e+01 | |||
| Coefficient B | 4.24210e-01 | |||
| Coefficient C | -1.48600e-04 | |||
| Coefficient D | -1.78000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 149.76 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 176.07 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 200.20 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 222.09 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 241.68 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 258.92 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 273.75 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 286.10 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 295.94 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 303.19 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.67] | kPa | [356.04; 499.72] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.57348e+01 | |||
| Coefficient B | -4.60475e+03 | |||
| Coefficient C | -5.79430e+01 | |||
| Temperature range, min. | 356.04 | |||
| Temperature range, max. | 499.72 | |||
| Pvap | 1.33 | kPa | 356.04 | Calculated Property |
| Pvap | 2.92 | kPa | 372.00 | Calculated Property |
| Pvap | 5.94 | kPa | 387.97 | Calculated Property |
| Pvap | 11.31 | kPa | 403.93 | Calculated Property |
| Pvap | 20.35 | kPa | 419.90 | Calculated Property |
| Pvap | 34.82 | kPa | 435.86 | Calculated Property |
| Pvap | 57.06 | kPa | 451.83 | Calculated Property |
| Pvap | 89.98 | kPa | 467.79 | Calculated Property |
| Pvap | 137.11 | kPa | 483.76 | Calculated Property |
| Pvap | 202.67 | kPa | 499.72 | Calculated Property |
Similar Compounds
Find more compounds similar to 1-Butanesulfonyl chloride.
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).
- 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
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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