- InChI
- InChI=1S/C7H14S/c1-7(2)4-3-5-8-6-7/h3-6H2,1-2H3
- InChI Key
- VTTAITZGCXLKBP-UHFFFAOYSA-N
- Formula
- C7H14S
- SMILES
- CC1(C)CCCSC1
- Molecular Weight1
- 130.26
- 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).
- 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 | 0.2285 | Relay (1.0) Calculated Property | |
| ΔfG° | 66.88 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -118.01 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 3.08 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 47.31 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.33 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 2.540 | Crippen Calculated Property | |
| McVol | 114.980 | ml/mol | McGowan Calculated Property |
| Pc | 3690.97 | kPa | Joback Calculated Property |
| Inp | 989.00 | NIST | |
| Tboil | 430.06 | K | Relay (1.0) Calculated Property |
| Tc | 666.68 | K | Relay (1.0) Calculated Property |
| Tfus | 217.14 | K | Relay (1.0) Calculated Property |
| Vc | 0.397 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Log10 of Water solubility in mol/l for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [221.32; 306.89] | J/mol×K | [427.38; 657.33] | 
|
| Cp,gas | 221.32 | J/mol×K | 427.38 | Joback Calculated Property |
| Cp,gas | 238.42 | J/mol×K | 465.70 | Joback Calculated Property |
| Cp,gas | 254.21 | J/mol×K | 504.03 | Joback Calculated Property |
| Cp,gas | 268.83 | J/mol×K | 542.35 | Joback Calculated Property |
| Cp,gas | 282.39 | J/mol×K | 580.68 | Joback Calculated Property |
| Cp,gas | 295.03 | J/mol×K | 619.00 | Joback Calculated Property |
| Cp,gas | 306.89 | J/mol×K | 657.33 | Joback Calculated Property |
Similar Compounds
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Sources
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