- InChI
- InChI=1S/C5H10S2/c1-2-6-4-5-7-3-1/h1-5H2
- InChI Key
- DNWRQNQDWZNZEB-UHFFFAOYSA-N
- Formula
- C5H10S2
- SMILES
- C1CSCCSC1
- Molecular Weight1
- 134.26
- Other Names
-
- 1,4-Dithiacycloheptane
- 1,5-Dithiepane
- 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).
- 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).
- Inp : Non-polar retention indices.
- 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° | 91.00 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 12.49 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 4.68 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 39.26 | kJ/mol | Joback Calculated Property |
| log10WS | -1.58 | Crippen Calculated Property | |
| logPoct/wat | 1.857 | Crippen Calculated Property | |
| McVol | 103.150 | ml/mol | McGowan Calculated Property |
| Pc | 4775.98 | kPa | Joback Calculated Property |
| Inp | [1091.00; 1113.00] |
|
|
| Inp | 1113.00 | NIST | |
| Inp | 1099.00 | NIST | |
| Inp | 1091.00 | NIST | |
| Inp | 1098.00 | NIST | |
| Inp | 1092.00 | NIST | |
| Inp | 1113.00 | NIST | |
| Tboil | 437.95 | K | Joback Calculated Property |
| Tc | 691.84 | K | Joback Calculated Property |
| Tfus | 321.11 | K | Joback Calculated Property |
| Vc | 0.334 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [182.67; 257.34] | J/mol×K | [437.95; 691.84] |
|
| Cp,gas | 182.67 | J/mol×K | 437.95 | Joback Calculated Property |
| Cp,gas | 197.41 | J/mol×K | 480.26 | Joback Calculated Property |
| Cp,gas | 211.19 | J/mol×K | 522.58 | Joback Calculated Property |
| Cp,gas | 224.04 | J/mol×K | 564.89 | Joback Calculated Property |
| Cp,gas | 235.99 | J/mol×K | 607.21 | Joback Calculated Property |
| Cp,gas | 247.08 | J/mol×K | 649.52 | Joback Calculated Property |
| Cp,gas | 257.34 | J/mol×K | 691.84 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,4-dithiepane.
Sources
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