- InChI
- InChI=1S/C3H7ClO2S/c1-2-3-7(4,5)6/h2-3H2,1H3
- InChI Key
- KPBSJEBFALFJTO-UHFFFAOYSA-N
- Formula
- C3H7ClO2S
- SMILES
- CCCS(=O)(=O)Cl
- Molecular Weight1
- 142.60
- CAS
- 10147-36-1
- Other Names
-
- Propane-1-sulfonyl chloride
- propanesulphonyl 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).
- 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 | -428.69 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 19.10 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 53.99 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 0.965 | Crippen Calculated Property | |
| McVol | 93.460 | ml/mol | McGowan Calculated Property |
| Tboil | 450.50 ± 2.50 | K | NIST |
| Tfus | 263.30 | K | Relay (1.0) Calculated Property |
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 | [49.90; 60.10] | kJ/mol | [258.00; 413.00] | 
|
| ΔvapH | 60.10 | kJ/mol | 258.00 | NIST |
| ΔvapH | 52.30 | kJ/mol | 317.50 | NIST |
| ΔvapH | 49.90 | kJ/mol | 413.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [128.54; 251.60] | 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 | 4.62920e+01 | |||
| Coefficient B | 3.29210e-01 | |||
| Coefficient C | -9.42000e-05 | |||
| Coefficient D | -2.97000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 128.54 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 149.65 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 169.13 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 186.86 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 202.77 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 216.76 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 228.73 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 238.59 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 246.24 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 251.60 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to 1-Propanesulfonyl chloride.
Sources
- 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
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