- 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).
- 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° | 102.02 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -164.33 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 20.32 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 43.61 | kJ/mol | Joback Calculated Property |
| log10WS | -4.01 | Crippen Calculated Property | |
| logPoct/wat | 3.851 | Crippen Calculated Property | |
| McVol | 157.250 | ml/mol | McGowan Calculated Property |
| Pc | 2410.00 | kPa | Joback Calculated Property |
| Inp | 1164.00 | NIST | |
| Tboil | 486.64 | K | Joback Calculated Property |
| Tc | 688.98 | K | Joback Calculated Property |
| Tfus | 292.57 | K | Joback Calculated Property |
| Vc | 0.582 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [353.53; 452.50] | J/mol×K | [486.64; 688.98] | 
|
| Cp,gas | 353.53 | J/mol×K | 486.64 | Joback Calculated Property |
| Cp,gas | 372.26 | J/mol×K | 520.36 | Joback Calculated Property |
| Cp,gas | 390.06 | J/mol×K | 554.09 | Joback Calculated Property |
| Cp,gas | 406.96 | J/mol×K | 587.81 | Joback Calculated Property |
| Cp,gas | 422.98 | J/mol×K | 621.54 | Joback Calculated Property |
| Cp,gas | 438.15 | J/mol×K | 655.26 | Joback Calculated Property |
| Cp,gas | 452.50 | J/mol×K | 688.98 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Thiolane, 2-butyl-5-methyl.
Sources
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