- InChI
- InChI=1S/C7H14S/c1-2-7-3-5-8-6-4-7/h7H,2-6H2,1H3
- InChI Key
- DZXVHXPCUHPSMD-UHFFFAOYSA-N
- Formula
- C7H14S
- SMILES
- CCC1CCSCC1
- Molecular Weight1
- 130.25
- CAS
- 40324-31-0
- Other Names
-
- 4-Ethyltetrahydro-2H-thiopyran
- 4-Ethyl-thiacyclohexane
- 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.
- 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° | 72.37 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -88.23 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 9.38 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 37.42 | kJ/mol | Joback Calculated Property |
| log10WS | -2.29 | Crippen Calculated Property | |
| logPoct/wat | 2.540 | Crippen Calculated Property | |
| McVol | 114.980 | ml/mol | McGowan Calculated Property |
| Pc | 3497.14 | kPa | Joback Calculated Property |
| Inp | [1050.00; 1050.00] |
|
|
| Inp | 1050.00 | NIST | |
| Inp | 1050.00 | NIST | |
| Tboil | 426.94 | K | Joback Calculated Property |
| Tc | 646.42 | K | Joback Calculated Property |
| Tfus | 259.48 | K | Joback Calculated Property |
| Vc | 0.406 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [220.37; 306.93] | J/mol×K | [426.94; 646.42] |
|
| Cp,gas | 220.37 | J/mol×K | 426.94 | Joback Calculated Property |
| Cp,gas | 236.92 | J/mol×K | 463.52 | Joback Calculated Property |
| Cp,gas | 252.59 | J/mol×K | 500.10 | Joback Calculated Property |
| Cp,gas | 267.39 | J/mol×K | 536.68 | Joback Calculated Property |
| Cp,gas | 281.37 | J/mol×K | 573.26 | Joback Calculated Property |
| Cp,gas | 294.54 | J/mol×K | 609.84 | Joback Calculated Property |
| Cp,gas | 306.93 | J/mol×K | 646.42 | Joback Calculated Property |
Similar Compounds
![Pentane, 1-[(3-methylbutyl)thio]-.](data:image/png;base64,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)
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