- InChI
- InChI=1S/C7H14S/c1-6(2)7-4-3-5-8-7/h6-7H,3-5H2,1-2H3
- InChI Key
- GONQWPIOWIVQPT-UHFFFAOYSA-N
- Formula
- C7H14S
- SMILES
- CC(C)C1CCCS1
- Molecular Weight1
- 130.25
- 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).
- 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 | 0.2580 | Relay (1.0) Calculated Property | |
| ΔfH°gas | -109.46 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 7.96 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 47.12 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 2.538 | Crippen Calculated Property | |
| McVol | 114.980 | ml/mol | McGowan Calculated Property |
| Pc | 3427.87 | kPa | Joback Calculated Property |
| Inp | [1014.00; 1014.00] |
|
|
| Inp | 1014.00 | NIST | |
| Inp | 1014.00 | NIST | |
| Tboil | 442.75 | K | Relay (1.0) Calculated Property |
| Tc | 663.76 | K | Relay (1.0) Calculated Property |
| Tfus | 185.55 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Ionization energy, 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 | [221.53; 304.96] | J/mol×K | [422.23; 638.07] |
|
| Cp,gas | 221.53 | J/mol×K | 422.23 | Joback Calculated Property |
| Cp,gas | 237.53 | J/mol×K | 458.20 | Joback Calculated Property |
| Cp,gas | 252.65 | J/mol×K | 494.18 | Joback Calculated Property |
| Cp,gas | 266.92 | J/mol×K | 530.15 | Joback Calculated Property |
| Cp,gas | 280.37 | J/mol×K | 566.12 | Joback Calculated Property |
| Cp,gas | 293.04 | J/mol×K | 602.10 | Joback Calculated Property |
| Cp,gas | 304.96 | J/mol×K | 638.07 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-isopropyl-thiacyclopentane.
Sources
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