- InChI
- InChI=1S/C8H16Cl2S2/c9-3-7-11-5-1-2-6-12-8-4-10/h1-8H2
- InChI Key
- AYSIRJGVBLMLAS-UHFFFAOYSA-N
- Formula
- C8H16Cl2S2
- SMILES
- ClCCSCCCCSCCCl
- Molecular Weight1
- 247.25
- CAS
- 142868-93-7
- 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).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical 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 |
|---|---|---|---|
| ΔfH°gas | -209.28 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 33.13 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 85.56 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 3.711 | Crippen Calculated Property | |
| McVol | 180.760 | ml/mol | McGowan Calculated Property |
| Pc | 2436.25 | kPa | Joback Calculated Property |
| Inp | 1759.00 | NIST | |
| Tboil | 577.05 | K | Relay (1.0) Calculated Property |
| Tc | 793.17 | K | Relay (1.0) Calculated Property |
| Tfus | 266.69 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate 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 |
|---|---|---|---|---|
| Cp,gas | [394.73; 462.11] | J/mol×K | [595.06; 809.91] | 
|
| Cp,gas | 394.73 | J/mol×K | 595.06 | Joback Calculated Property |
| Cp,gas | 407.73 | J/mol×K | 630.87 | Joback Calculated Property |
| Cp,gas | 420.01 | J/mol×K | 666.68 | Joback Calculated Property |
| Cp,gas | 431.57 | J/mol×K | 702.48 | Joback Calculated Property |
| Cp,gas | 442.44 | J/mol×K | 738.29 | Joback Calculated Property |
| Cp,gas | 452.61 | J/mol×K | 774.10 | Joback Calculated Property |
| Cp,gas | 462.11 | J/mol×K | 809.91 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,4-Bis(2-chloroethylthio)butane.
Sources
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