- InChI
- InChI=1S/C10H18OS/c1-2-3-6-9-7-4-5-8-10(12)11-9/h9H,2-8H2,1H3
- InChI Key
- MCAXROCTXJWOCL-UHFFFAOYSA-N
- Formula
- C10H18OS
- SMILES
- CCCCC1CCCCC(=S)O1
- Molecular Weight1
- 186.31
- 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° | 50.40 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -218.47 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 25.40 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 50.44 | kJ/mol | Joback Calculated Property |
| log10WS | -3.95 | Crippen Calculated Property | |
| logPoct/wat | 3.463 | Crippen Calculated Property | |
| McVol | 158.820 | ml/mol | McGowan Calculated Property |
| Pc | 2790.61 | kPa | Joback Calculated Property |
| Inp | [1560.00; 1560.00] |
|
|
| Inp | 1560.00 | NIST | |
| Inp | 1560.00 | NIST | |
| I | [2288.00; 2288.00] |
|
|
| I | 2288.00 | NIST | |
| I | 2288.00 | NIST | |
| Tboil | 551.61 | K | Joback Calculated Property |
| Tc | 774.57 | K | Joback Calculated Property |
| Tfus | 296.56 | K | Joback Calculated Property |
| Vc | 0.580 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [379.69; 472.00] | J/mol×K | [551.61; 774.57] |
|
| Cp,gas | 379.69 | J/mol×K | 551.61 | Joback Calculated Property |
| Cp,gas | 397.65 | J/mol×K | 588.77 | Joback Calculated Property |
| Cp,gas | 414.52 | J/mol×K | 625.93 | Joback Calculated Property |
| Cp,gas | 430.35 | J/mol×K | 663.09 | Joback Calculated Property |
| Cp,gas | 445.17 | J/mol×K | 700.25 | Joback Calculated Property |
| Cp,gas | 459.04 | J/mol×K | 737.41 | Joback Calculated Property |
| Cp,gas | 472.00 | J/mol×K | 774.57 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 7-butyloxepane-2-thione.
Sources
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