- InChI
- InChI=1S/C5H8OS/c1-5(2)3-4(6)7-5/h3H2,1-2H3
- InChI Key
- BHMHGGHJMPCCSZ-UHFFFAOYSA-N
- Formula
- C5H8OS
- SMILES
- CC1(C)CC(=O)S1
- Molecular Weight1
- 116.18
- 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).
- I : 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° | -48.35 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -157.09 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 1.61 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 35.72 | kJ/mol | Joback Calculated Property |
| log10WS | -1.58 | Crippen Calculated Property | |
| logPoct/wat | 1.428 | Crippen Calculated Property | |
| McVol | 88.370 | ml/mol | McGowan Calculated Property |
| Pc | 4634.00 | kPa | Joback Calculated Property |
| I | [1346.00; 1346.00] |
|
|
| I | 1346.00 | NIST | |
| I | 1346.00 | NIST | |
| Tboil | 440.70 | K | Joback Calculated Property |
| Tc | 679.18 | K | Joback Calculated Property |
| Tfus | 336.10 | K | Joback Calculated Property |
| Vc | 0.316 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [170.38; 227.34] | J/mol×K | [440.70; 679.18] |
|
| Cp,gas | 170.38 | J/mol×K | 440.70 | Joback Calculated Property |
| Cp,gas | 181.69 | J/mol×K | 480.45 | Joback Calculated Property |
| Cp,gas | 192.12 | J/mol×K | 520.19 | Joback Calculated Property |
| Cp,gas | 201.79 | J/mol×K | 559.94 | Joback Calculated Property |
| Cp,gas | 210.80 | J/mol×K | 599.69 | Joback Calculated Property |
| Cp,gas | 219.28 | J/mol×K | 639.43 | Joback Calculated Property |
| Cp,gas | 227.34 | J/mol×K | 679.18 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4,4-Dimethyl thiacyclobutan-2-one.
Sources
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