- InChI
- InChI=1S/C6H12S/c1-2-6-3-4-7-5-6/h6H,2-5H2,1H3
- InChI Key
- BEEJXKSVPBKHQM-UHFFFAOYSA-N
- Formula
- C6H12S
- SMILES
- CCC1CCSC1
- Molecular Weight1
- 116.22
- CAS
- 62184-67-2
- Other Names
-
- 3-Ethyltetrahydrothiophene
- 3-Ethyl-thiacyclopentane
- 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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° | 76.05 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -61.43 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 8.89 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 35.02 | kJ/mol | Joback Calculated Property |
| log10WS | -1.87 | Crippen Calculated Property | |
| logPoct/wat | 2.150 | Crippen Calculated Property | |
| McVol | 100.890 | ml/mol | McGowan Calculated Property |
| Pc | 3810.39 | kPa | Joback Calculated Property |
| Inp | [926.00; 970.00] |
|
|
| Inp | 970.00 | NIST | |
| Inp | 970.00 | NIST | |
| Inp | 926.00 | NIST | |
| Inp | 926.00 | NIST | |
| Inp | 970.00 | NIST | |
| Tboil | 399.79 | K | Joback Calculated Property |
| Tc | 612.75 | K | Joback Calculated Property |
| Tfus | 251.73 | K | Joback Calculated Property |
| Vc | 0.358 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [181.81; 256.40] | J/mol×K | [399.79; 612.75] |
|
| Cp,gas | 181.81 | J/mol×K | 399.79 | Joback Calculated Property |
| Cp,gas | 196.08 | J/mol×K | 435.28 | Joback Calculated Property |
| Cp,gas | 209.57 | J/mol×K | 470.78 | Joback Calculated Property |
| Cp,gas | 222.32 | J/mol×K | 506.27 | Joback Calculated Property |
| Cp,gas | 234.36 | J/mol×K | 541.76 | Joback Calculated Property |
| Cp,gas | 245.71 | J/mol×K | 577.25 | Joback Calculated Property |
| Cp,gas | 256.40 | J/mol×K | 612.75 | Joback Calculated Property |
| ΔvapH | 43.10 | kJ/mol | 423.00 | NIST |
Similar Compounds
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Find more compounds similar to 3-Ethylthiolane.
Sources
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