- InChI
- InChI=1S/C9H18S/c1-2-3-4-6-9-7-5-8-10-9/h9H,2-8H2,1H3
- InChI Key
- QQVRCOSRKOIMKB-UHFFFAOYSA-N
- Formula
- C9H18S
- SMILES
- CCCCCC1CCCS1
- Molecular Weight1
- 158.30
- 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° | 101.31 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -123.35 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 16.66 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 41.70 | kJ/mol | Joback Calculated Property |
| log10WS | -3.48 | Crippen Calculated Property | |
| logPoct/wat | 3.462 | Crippen Calculated Property | |
| McVol | 143.160 | ml/mol | McGowan Calculated Property |
| Pc | 2746.90 | kPa | Joback Calculated Property |
| Inp | [1238.00; 1238.00] |
|
|
| Inp | 1238.00 | NIST | |
| Inp | 1238.00 | NIST | |
| Tboil | 468.43 | K | Joback Calculated Property |
| Tc | 673.79 | K | Joback Calculated Property |
| Tfus | 285.54 | K | Joback Calculated Property |
| Vc | 0.526 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [307.34; 399.47] | J/mol×K | [468.43; 673.79] |
|
| Cp,gas | 307.34 | J/mol×K | 468.43 | Joback Calculated Property |
| Cp,gas | 324.89 | J/mol×K | 502.66 | Joback Calculated Property |
| Cp,gas | 341.51 | J/mol×K | 536.88 | Joback Calculated Property |
| Cp,gas | 357.25 | J/mol×K | 571.11 | Joback Calculated Property |
| Cp,gas | 372.13 | J/mol×K | 605.34 | Joback Calculated Property |
| Cp,gas | 386.19 | J/mol×K | 639.56 | Joback Calculated Property |
| Cp,gas | 399.47 | J/mol×K | 673.79 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Pentylthiolane.
Sources
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