- InChI
- InChI=1S/C3H6OS/c4-5-2-1-3-5/h1-3H2
- InChI Key
- GINSRDSEEGBTJO-UHFFFAOYSA-N
- Formula
- C3H6OS
- SMILES
- O=S1CCC1
- Molecular Weight1
- 90.14
- CAS
- 13153-11-2
- Other Names
-
- Trimethylene sulfoxide
- Thietane S-oxide
- 1,3-Propanesulfone
- Thietane oxide
- 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).
- 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 | 0.3168 | Relay (1.0) Calculated Property | |
| ΔfG° | -180.23 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -115.60 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 5.77 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 63.22 | kJ/mol | Relay (1.0) Calculated Property |
| IE | [8.50; 8.96] | eV |
|
| IE | 8.50 | eV | NIST |
| IE | 8.96 | eV | NIST |
| log10WS | 0.92 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.139 | Crippen Calculated Property | |
| McVol | 64.490 | ml/mol | McGowan Calculated Property |
| Pc | 6349.11 | kPa | Joback Calculated Property |
| Tboil | 481.33 | K | Relay (1.0) Calculated Property |
| Tc | 730.10 | K | Relay (1.0) Calculated Property |
| Tfus | 308.67 | K | Relay (1.0) Calculated Property |
| Vc | 0.224 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [90.14; 135.77] | J/mol×K | [321.05; 512.49] |
|
| Cp,gas | 90.14 | J/mol×K | 321.05 | Joback Calculated Property |
| Cp,gas | 98.97 | J/mol×K | 352.96 | Joback Calculated Property |
| Cp,gas | 107.28 | J/mol×K | 384.86 | Joback Calculated Property |
| Cp,gas | 115.09 | J/mol×K | 416.77 | Joback Calculated Property |
| Cp,gas | 122.43 | J/mol×K | 448.68 | Joback Calculated Property |
| Cp,gas | 129.32 | J/mol×K | 480.59 | Joback Calculated Property |
| Cp,gas | 135.77 | J/mol×K | 512.49 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Thietane, 1-oxide.
Sources
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