- InChI
- InChI=1S/C10H20S/c1-3-5-6-10-8-7-9(4-2)11-10/h9-10H,3-8H2,1-2H3
- InChI Key
- WWHBLJZJOXQRRZ-UHFFFAOYSA-N
- Formula
- C10H20S
- SMILES
- CCCCC1CCC(CC)S1
- Molecular Weight1
- 172.33
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- IE : Ionization energy (eV).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -145.33 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 20.32 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 58.27 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.97 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 3.851 | Crippen Calculated Property | |
| McVol | 157.250 | ml/mol | McGowan Calculated Property |
| Inp | [1164.00; 1166.00] |
|
|
| Inp | 1164.00 | NIST | |
| Inp | 1166.00 | NIST | |
| Inp | 1164.00 | NIST | |
| Tboil | 499.02 | K | Relay (1.0) Calculated Property |
| Tc | 703.16 | K | Relay (1.0) Calculated Property |
| Tfus | 197.62 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [211.20; 551.52] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -3.89260e+01 | |||
| Coefficient B | 1.07345e+00 | |||
| Coefficient C | -6.10900e-04 | |||
| Coefficient D | 1.27900e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 211.20 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 270.04 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 322.68 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 369.53 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 410.98 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 447.45 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 479.33 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 507.03 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 530.96 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 551.52 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Thiolane, 2-butyl-5-methyl.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
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