- 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
- CAS
- 1613-49-6
- 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).
- 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 |
|---|---|---|---|
| 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° | 51.23 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.22 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.42 | 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 |
| Inp | [1093.00; 1182.00] |
|
|
| Inp | 1169.00 | NIST | |
| Inp | 1098.00 | NIST | |
| Inp | 1093.00 | NIST | |
| Inp | 1098.00 | NIST | |
| Inp | 1093.00 | NIST | |
| Inp | 1169.00 | NIST | |
| Inp | 1168.00 | NIST | |
| Inp | 1174.00 | NIST | |
| Inp | 1182.00 | NIST | |
| Inp | 1133.00 | NIST | |
| Inp | 1133.00 | NIST | |
| Inp | 1133.00 | NIST | |
| Inp | 1133.00 | NIST | |
| Inp | 1131.00 | NIST | |
| Inp | 1131.00 | NIST | |
| Inp | 1169.00 | NIST | |
| Inp | 1133.00 | NIST | |
| Tboil | 471.81 | K | Relay (1.0) Calculated Property |
| Tc | 677.32 | K | Relay (1.0) Calculated Property |
| Tfus | 190.20 | K | Relay (1.0) Calculated Property |
| Vc | 0.462 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [263.40; 350.47] | J/mol×K | [445.55; 653.61] |
|
| Cp,gas | 263.40 | J/mol×K | 445.55 | Joback Calculated Property |
| Cp,gas | 280.01 | J/mol×K | 480.23 | Joback Calculated Property |
| Cp,gas | 295.73 | J/mol×K | 514.90 | Joback Calculated Property |
| Cp,gas | 310.61 | J/mol×K | 549.58 | Joback Calculated Property |
| Cp,gas | 324.67 | J/mol×K | 584.26 | Joback Calculated Property |
| Cp,gas | 337.94 | J/mol×K | 618.93 | Joback Calculated Property |
| Cp,gas | 350.47 | J/mol×K | 653.61 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Thiophene, 2-butyltetrahydro-.
Sources
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