- InChI
- InChI=1S/C7H14S/c1-2-4-6-8-7-5-3-1/h1-7H2
- InChI Key
- AMIGYDGSJCJWSD-UHFFFAOYSA-N
- Formula
- C7H14S
- SMILES
- C1CCCSCCC1
- Molecular Weight1
- 130.26
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.1870 | Relay (1.0) Calculated Property | |
| ΔfH°gas | -116.13 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 4.11 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 51.40 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.35 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 2.684 | Crippen Calculated Property | |
| McVol | 114.980 | ml/mol | McGowan Calculated Property |
| Pc | 3867.48 | kPa | Joback Calculated Property |
| Inp | 1056.00 | NIST | |
| Tboil | 458.87 | K | Relay (1.0) Calculated Property |
| Tc | 711.08 | K | Relay (1.0) Calculated Property |
| Tfus | 276.73 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, 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 | [218.12; 313.55] | J/mol×K | [440.35; 679.33] | 
|
| Cp,gas | 218.12 | J/mol×K | 440.35 | Joback Calculated Property |
| Cp,gas | 236.60 | J/mol×K | 480.18 | Joback Calculated Property |
| Cp,gas | 254.02 | J/mol×K | 520.01 | Joback Calculated Property |
| Cp,gas | 270.41 | J/mol×K | 559.84 | Joback Calculated Property |
| Cp,gas | 285.78 | J/mol×K | 599.67 | Joback Calculated Property |
| Cp,gas | 300.15 | J/mol×K | 639.50 | Joback Calculated Property |
| Cp,gas | 313.55 | J/mol×K | 679.33 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Thiocane.
Sources
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