- 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).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- 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).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Pvap : Vapor pressure (kPa).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfG° | -497.67 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -594.98 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 21.69 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 55.70 | kJ/mol | NIST |
| log10WS | -1.47 | Crippen Calculated Property | |
| logPoct/wat | 1.355 | Crippen Calculated Property | |
| McVol | 107.550 | ml/mol | McGowan Calculated Property |
| Pc | 4540.80 | kPa | Joback Calculated Property |
| Tboil | 376.13 | K | Joback Calculated Property |
| Tc | 547.73 | K | Joback Calculated Property |
| Tfus | 203.32 | K | Joback Calculated Property |
| Vc | 0.434 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [182.97; 230.23] | J/mol×K | [376.13; 547.73] | 
|
| Cp,gas | 182.97 | J/mol×K | 376.13 | Joback Calculated Property |
| Cp,gas | 191.55 | J/mol×K | 404.73 | Joback Calculated Property |
| Cp,gas | 199.85 | J/mol×K | 433.33 | Joback Calculated Property |
| Cp,gas | 207.88 | J/mol×K | 461.93 | Joback Calculated Property |
| Cp,gas | 215.61 | J/mol×K | 490.53 | Joback Calculated Property |
| Cp,gas | 223.07 | J/mol×K | 519.13 | Joback Calculated Property |
| Cp,gas | 230.23 | J/mol×K | 547.73 | Joback Calculated Property |
| 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 |
|---|---|---|---|---|
| Pvap | [1.33; 202.67] | kPa | [356.04; 499.72] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| 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
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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