- InChI
- InChI=1S/C9H18S/c1-2-3-6-9-7-4-5-8-10-9/h9H,2-8H2,1H3
- InChI Key
- SFIKCPNNQVZUDI-UHFFFAOYSA-N
- Formula
- C9H18S
- SMILES
- CCCCC1CCCCS1
- Molecular Weight1
- 158.30
- Other Names
-
- 2-Butylthiane
- 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° | 89.21 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -129.51 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 14.56 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 41.87 | 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 | 2820.33 | kPa | Joback Calculated Property |
| Inp | [1212.00; 1212.00] |
|
|
| Inp | 1212.00 | NIST | |
| Inp | 1212.00 | NIST | |
| Tboil | 472.70 | K | Joback Calculated Property |
| Tc | 686.14 | K | Joback Calculated Property |
| Tfus | 282.02 | K | Joback Calculated Property |
| Vc | 0.518 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [307.13; 404.55] | J/mol×K | [472.70; 686.14] |
|
| Cp,gas | 307.13 | J/mol×K | 472.70 | Joback Calculated Property |
| Cp,gas | 325.74 | J/mol×K | 508.27 | Joback Calculated Property |
| Cp,gas | 343.36 | J/mol×K | 543.85 | Joback Calculated Property |
| Cp,gas | 360.02 | J/mol×K | 579.42 | Joback Calculated Property |
| Cp,gas | 375.75 | J/mol×K | 614.99 | Joback Calculated Property |
| Cp,gas | 390.58 | J/mol×K | 650.56 | Joback Calculated Property |
| Cp,gas | 404.55 | J/mol×K | 686.14 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Thiane, 2-butyl.
Sources
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