- InChI
- InChI=1S/C12H22OS/c1-2-3-4-5-6-8-11-9-7-10-12(14)13-11/h11H,2-10H2,1H3
- InChI Key
- KFLLHCHPZXFRBY-UHFFFAOYSA-N
- Formula
- C12H22OS
- SMILES
- CCCCCCCC1CCCC(=S)O1
- Molecular Weight1
- 214.37
- 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).
- 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° | 79.34 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -253.59 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 32.68 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 54.72 | kJ/mol | Joback Calculated Property |
| log10WS | -4.79 | Crippen Calculated Property | |
| logPoct/wat | 4.243 | Crippen Calculated Property | |
| McVol | 187.000 | ml/mol | McGowan Calculated Property |
| Pc | 2246.13 | kPa | Joback Calculated Property |
| I | [2600.00; 2600.00] |
|
|
| I | 2600.00 | NIST | |
| I | 2600.00 | NIST | |
| Tboil | 593.10 | K | Joback Calculated Property |
| Tc | 801.28 | K | Joback Calculated Property |
| Tfus | 322.62 | K | Joback Calculated Property |
| Vc | 0.700 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [477.96; 571.99] | J/mol×K | [593.10; 801.28] |
|
| Cp,gas | 477.96 | J/mol×K | 593.10 | Joback Calculated Property |
| Cp,gas | 496.07 | J/mol×K | 627.80 | Joback Calculated Property |
| Cp,gas | 513.13 | J/mol×K | 662.49 | Joback Calculated Property |
| Cp,gas | 529.21 | J/mol×K | 697.19 | Joback Calculated Property |
| Cp,gas | 544.35 | J/mol×K | 731.89 | Joback Calculated Property |
| Cp,gas | 558.59 | J/mol×K | 766.59 | Joback Calculated Property |
| Cp,gas | 571.99 | J/mol×K | 801.28 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 6-heptyl-tetrahydropyran-2-thione.
Sources
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