- 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
- 130.25
- 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° | 55.88 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -80.21 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 4.11 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 38.07 | kJ/mol | Joback Calculated Property |
| log10WS | -2.53 | Crippen 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 | 440.15 | K | Joback Calculated Property |
| Tc | 679.02 | K | Joback Calculated Property |
| Tfus | 256.68 | K | Joback Calculated Property |
| Vc | 0.392 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [218.02; 313.45] | J/mol×K | [440.15; 679.02] | 
|
| Cp,gas | 218.02 | J/mol×K | 440.15 | Joback Calculated Property |
| Cp,gas | 236.50 | J/mol×K | 479.96 | Joback Calculated Property |
| Cp,gas | 253.92 | J/mol×K | 519.77 | Joback Calculated Property |
| Cp,gas | 270.31 | J/mol×K | 559.58 | Joback Calculated Property |
| Cp,gas | 285.68 | J/mol×K | 599.40 | Joback Calculated Property |
| Cp,gas | 300.05 | J/mol×K | 639.21 | Joback Calculated Property |
| Cp,gas | 313.45 | J/mol×K | 679.02 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Thiocane.
Sources
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