- InChI
- InChI=1S/C6H14S2/c1-2-8-6-4-3-5-7/h7H,2-6H2,1H3
- InChI Key
- UKCNJCPIHIMVSL-UHFFFAOYSA-N
- Formula
- C6H14S2
- SMILES
- CCSCCCCS
- Molecular Weight1
- 150.31
- 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 standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.4198 | Relay (1.0) Calculated Property | |
| ΔfG° | 62.15 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -112.72 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 19.47 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 57.71 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.53 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.39 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.450 | Crippen Calculated Property | |
| McVol | 128.100 | ml/mol | McGowan Calculated Property |
| Pc | 3407.89 | kPa | Joback Calculated Property |
| Inp | [1226.00; 1226.00] |
|
|
| Inp | 1226.00 | NIST | |
| Inp | 1226.00 | NIST | |
| Tboil | 485.00 | K | Relay (1.0) Calculated Property |
| Tc | 696.82 | K | Relay (1.0) Calculated Property |
| Tfus | 222.35 | K | Relay (1.0) Calculated Property |
| Vc | 0.453 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [252.27; 317.37] | J/mol×K | [468.32; 680.70] |
|
| Cp,gas | 252.27 | J/mol×K | 468.32 | Joback Calculated Property |
| Cp,gas | 264.51 | J/mol×K | 503.72 | Joback Calculated Property |
| Cp,gas | 276.18 | J/mol×K | 539.11 | Joback Calculated Property |
| Cp,gas | 287.29 | J/mol×K | 574.51 | Joback Calculated Property |
| Cp,gas | 297.86 | J/mol×K | 609.91 | Joback Calculated Property |
| Cp,gas | 307.88 | J/mol×K | 645.30 | Joback Calculated Property |
| Cp,gas | 317.37 | J/mol×K | 680.70 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 5-Thia-1-heptanethiol.
Sources
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