- InChI
- InChI=1S/C10H16OS/c1-2-3-4-6-9-7-5-8-10(12)11-9/h2-3,9H,4-8H2,1H3/b3-2+
- InChI Key
- LQWZFGDHWUEUTH-NSCUHMNNSA-N
- Formula
- C10H16OS
- SMILES
- CC=CCCC1CCCC(=S)O1
- Molecular Weight1
- 184.30
- 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.
- 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 |
|---|---|---|---|
| ΔfG° | 142.72 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -95.09 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 27.71 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 50.23 | kJ/mol | Joback Calculated Property |
| log10WS | -3.81 | Crippen Calculated Property | |
| logPoct/wat | 3.239 | Crippen Calculated Property | |
| McVol | 154.520 | ml/mol | McGowan Calculated Property |
| Pc | 2871.95 | kPa | Joback Calculated Property |
| Inp | [1595.00; 1595.00] |
|
|
| Inp | 1595.00 | NIST | |
| Inp | 1595.00 | NIST | |
| I | [2443.00; 2443.00] |
|
|
| I | 2443.00 | NIST | |
| I | 2443.00 | NIST | |
| Tboil | 551.50 | K | Joback Calculated Property |
| Tc | 776.61 | K | Joback Calculated Property |
| Tfus | 295.00 | K | Joback Calculated Property |
| Vc | 0.568 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [360.27; 444.29] | J/mol×K | [551.50; 776.61] |
|
| Cp,gas | 360.27 | J/mol×K | 551.50 | Joback Calculated Property |
| Cp,gas | 376.76 | J/mol×K | 589.02 | Joback Calculated Property |
| Cp,gas | 392.17 | J/mol×K | 626.54 | Joback Calculated Property |
| Cp,gas | 406.56 | J/mol×K | 664.05 | Joback Calculated Property |
| Cp,gas | 420.00 | J/mol×K | 701.57 | Joback Calculated Property |
| Cp,gas | 432.55 | J/mol×K | 739.09 | Joback Calculated Property |
| Cp,gas | 444.29 | J/mol×K | 776.61 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (E)-6-(pent-3-enyl)-tetrahydropyran-2-thione.
Sources
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