- InChI
- InChI=1S/Cl2OS/c1-4(2)3
- InChI Key
- FYSNRJHAOHDILO-UHFFFAOYSA-N
- Formula
- Cl2OS
- SMILES
- O=S(Cl)Cl
- Molecular Weight1
- 118.97
- CAS
- 7719-09-7
- Other Names
-
- SOCl2
- Sulfinyl chloride
- Sulfinyl dichloride
- Sulfur chloride oxide
- Sulfur chloride oxide (Cl2SO)
- Sulfur oxychloride
- Sulfur oxychloride (SOCl2)
- Sulfurous dichloride
- Sulfurous oxychloride
- Thionyl chloride (SOCl2)
- Thionyl dichloride
- UN 1836
- ω : Acentric Factor.
- 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 a given temperature (kJ/mol).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.1957 | Relay (1.0) Calculated Property | |
| ΔfG° | -292.45 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -156.35 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 11.90 | kJ/mol | Joback Calculated Property |
| IE | [11.07; 11.30] | eV |
|
| IE | 11.07 | eV | NIST |
| IE | 11.30 | eV | NIST |
| IE | 11.12 | eV | NIST |
| IE | 11.30 | eV | NIST |
| IE | 11.13 | eV | NIST |
| logPoct/wat | 1.043 | Crippen Calculated Property | |
| McVol | 57.560 | ml/mol | McGowan Calculated Property |
| Pc | 6875.52 | kPa | Joback Calculated Property |
| Tboil | 337.11 | K | Relay (1.0) Calculated Property |
| Tc | 651.95 | K | Relay (1.0) Calculated Property |
| Tfus | 278.93 | K | Relay (1.0) Calculated Property |
| Vc | 0.206 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Enthalpy of vaporization at standard conditions, 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 | 32.40 | kJ/mol | 314.50 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [65.55; 83.78] | 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 | 5.50900e+01 | |||
| Coefficient B | 3.13900e-02 | |||
| Coefficient C | 3.59000e-05 | |||
| Coefficient D | -3.86000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 65.55 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 68.98 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 72.34 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 75.52 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 78.38 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 80.81 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 82.69 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 83.89 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 84.30 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 83.78 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [4.44e-04; 201.29] | kPa | [172.00; 372.15] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.47469e+01 | |||
| Coefficient B | -3.26001e+03 | |||
| Coefficient C | -2.68900e+01 | |||
| Temperature range, min. | 172.00 | |||
| Temperature range, max. | 372.15 | |||
| Pvap | 4.44e-04 | kPa | 172.00 | Calculated Property |
| Pvap | 8.80e-03 | kPa | 194.24 | Calculated Property |
| Pvap | 0.09 | kPa | 216.48 | Calculated Property |
| Pvap | 0.53 | kPa | 238.72 | Calculated Property |
| Pvap | 2.27 | kPa | 260.96 | Calculated Property |
| Pvap | 7.60 | kPa | 283.19 | Calculated Property |
| Pvap | 20.97 | kPa | 305.43 | Calculated Property |
| Pvap | 49.82 | kPa | 327.67 | Calculated Property |
| Pvap | 105.07 | kPa | 349.91 | Calculated Property |
| Pvap | 201.29 | kPa | 372.15 | Calculated Property |
| Pvap | [0.14; 100.41] | kPa | [220.30; 348.60] |
NIST
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.46075e+01 | |||
| Coefficient B | -3.22341e+03 | |||
| Coefficient C | -2.62020e+01 | |||
| Reference | Stull, 1947 | |||
| Temperature range, min. | 220.30 | |||
| Temperature range, max. | 348.60 | |||
| Pvap | 0.14 | kPa | 220.30 | Calculated Property |
| Pvap | 0.42 | kPa | 234.56 | Calculated Property |
| Pvap | 1.14 | kPa | 248.81 | Calculated Property |
| Pvap | 2.72 | kPa | 263.07 | Calculated Property |
| Pvap | 5.88 | kPa | 277.32 | Calculated Property |
| Pvap | 11.71 | kPa | 291.58 | Calculated Property |
| Pvap | 21.76 | kPa | 305.83 | Calculated Property |
| Pvap | 38.06 | kPa | 320.09 | Calculated Property |
| Pvap | 63.22 | kPa | 334.34 | Calculated Property |
| Pvap | 100.41 | kPa | 348.60 | Calculated Property |
Similar Compounds
Find more compounds similar to Thionyl chloride.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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