- InChI
- InChI=1S/C7H14S/c8-7-5-3-1-2-4-6-7/h7-8H,1-6H2
- InChI Key
- JRVFLEPKNRTFHN-UHFFFAOYSA-N
- Formula
- C7H14S
- SMILES
- SC1CCCCCC1
- Molecular Weight1
- 130.25
- 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.
- I : 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 | 0.2605 | Relay (... Calculated Property | |
| ΔfG° | 49.80 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -112.93 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 7.66 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 47.91 | kJ/mol | Relay (... Calculated Property |
| IE | 9.00 | eV | Relay (... Calculated Property |
| log10WS | -2.99 | Relay (... Calculated Property | |
| logPoct/wat | 2.639 | Crippen Calculated Property | |
| McVol | 114.980 | ml/mol | McGowan Calculated Property |
| Pc | 3925.85 | kPa | Joback Calculated Property |
| Inp | [1126.00; 1126.00] |
|
|
| Inp | 1126.00 | NIST | |
| Inp | 1126.00 | NIST | |
| I | 1427.00 | NIST | |
| Tboil | 456.04 | K | Relay (... Calculated Property |
| Tc | 683.24 | K | Relay (... Calculated Property |
| Tfus | 210.52 | K | Relay (... Calculated Property |
| Vc | 0.396 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [224.18; 318.92] | J/mol×K | [446.24; 685.47] |
|
| Cp,gas | 224.18 | J/mol×K | 446.24 | Joback Calculated Property |
| Cp,gas | 242.52 | J/mol×K | 486.11 | Joback Calculated Property |
| Cp,gas | 259.82 | J/mol×K | 525.98 | Joback Calculated Property |
| Cp,gas | 276.08 | J/mol×K | 565.86 | Joback Calculated Property |
| Cp,gas | 291.34 | J/mol×K | 605.73 | Joback Calculated Property |
| Cp,gas | 305.61 | J/mol×K | 645.60 | Joback Calculated Property |
| Cp,gas | 318.92 | J/mol×K | 685.47 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to CycloHeptanethiol.
Sources
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