- InChI
- InChI=1S/C8H16S/c1-2-3-5-8-6-4-7-9-8/h8H,2-7H2,1H3
- InChI Key
- NBPQJOLVXAKDFK-UHFFFAOYSA-N
- Formula
- C8H16S
- SMILES
- CCCCC1CCCS1
- Molecular Weight1
- 144.28
- Other Names
-
- 2-Butyltetrahydrothiophene
- 2-Butylthiacyclopentane
- 2-Butylthiophane
- 2-Butyl-thiolane
- Thiolane, 2-butyl
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- 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 |
|---|---|---|---|
| ω | 0.3192 | Relay (1.0) Calculated Property | |
| ΔfG° | 92.89 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -122.27 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 14.07 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 53.35 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.22 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 3.072 | Crippen Calculated Property | |
| McVol | 129.070 | ml/mol | McGowan Calculated Property |
| Pc | 3045.68 | kPa | Joback Calculated Property |
| Tboil | 471.81 | K | Relay (1.0) Calculated Property |
| Tc | 682.28 | K | Relay (1.0) Calculated Property |
| Tfus | 188.78 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Volume, 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.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [263.50; 350.57] | J/mol×K | [445.75; 653.90] | 
|
| Cp,gas | 263.50 | J/mol×K | 445.75 | Joback Calculated Property |
| Cp,gas | 280.11 | J/mol×K | 480.44 | Joback Calculated Property |
| Cp,gas | 295.83 | J/mol×K | 515.13 | Joback Calculated Property |
| Cp,gas | 310.71 | J/mol×K | 549.83 | Joback Calculated Property |
| Cp,gas | 324.77 | J/mol×K | 584.52 | Joback Calculated Property |
| Cp,gas | 338.04 | J/mol×K | 619.21 | Joback Calculated Property |
| Cp,gas | 350.57 | J/mol×K | 653.90 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Thiophene, 2-butyltetrahydro-.
Sources
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