- InChI
- InChI=1S/C4H8OS/c5-6-3-1-2-4-6/h1-4H2
- InChI Key
- ISXOBTBCNRIIQO-UHFFFAOYSA-N
- Formula
- C4H8OS
- SMILES
- O=S1CCCC1
- Molecular Weight1
- 104.17
- CAS
- 1600-44-8
- Other Names
-
- Tetrahydrothiophene oxide
- Tetrahydrothiophene 1-oxide
- Tetramethylene sulfoxide
- Thiophane monoxide
- Thiophane oxide
- Thiophane 1-oxide
- Thiophene-1-oxide, tetrahydro-
- Thiolane 1-oxide
- Tetramethylene sulphoxide
- Tetrametylene sulfoxide
- NSC 65433
- Tetrahydrothiophene S-oxide
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- EA : Electron affinity (eV).
- 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).
- ΔfusH : Enthalpy of fusion at a given temperature (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).
- 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 |
|---|---|---|---|
| EA | 0.02 ± 0.00 | eV | NIST |
| ΔfG° | -183.91 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -247.42 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 6.26 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 36.78 | kJ/mol | Joback Calculated Property |
| IE | [8.77; 9.07] | eV |
|
| IE | 9.07 ± 0.05 | eV | NIST |
| IE | 9.07 | eV | NIST |
| IE | 8.77 | eV | NIST |
| IE | 8.77 | eV | NIST |
| log10WS | -0.03 | Crippen Calculated Property | |
| logPoct/wat | 0.529 | Crippen Calculated Property | |
| McVol | 78.580 | ml/mol | McGowan Calculated Property |
| Pc | 5687.39 | kPa | Joback Calculated Property |
| Tboil | 348.20 | K | Joback Calculated Property |
| Tc | 548.28 | K | Joback Calculated Property |
| Tfus | 235.51 | K | Joback Calculated Property |
| Vc | 0.283 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [119.66; 177.95] | J/mol×K | [348.20; 548.28] |
|
| Cp,gas | 119.66 | J/mol×K | 348.20 | Joback Calculated Property |
| Cp,gas | 130.83 | J/mol×K | 381.55 | Joback Calculated Property |
| Cp,gas | 141.39 | J/mol×K | 414.89 | Joback Calculated Property |
| Cp,gas | 151.35 | J/mol×K | 448.24 | Joback Calculated Property |
| Cp,gas | 160.76 | J/mol×K | 481.59 | Joback Calculated Property |
| Cp,gas | 169.61 | J/mol×K | 514.94 | Joback Calculated Property |
| Cp,gas | 177.95 | J/mol×K | 548.28 | Joback Calculated Property |
| ΔfusH | 0.51 | kJ/mol | 231.80 | NIST |
Similar Compounds
Find more compounds similar to Thiophene, tetrahydro-, 1-oxide.
Sources
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