- InChI
- InChI=1S/C10H16N2O2S/c1-5-10(6-2)7(13)11(3)9(15)12(4)8(10)14/h5-6H2,1-4H3
- InChI Key
- FVECWDUCSHUMJX-UHFFFAOYSA-N
- Formula
- C10H16N2O2S
- SMILES
- CCC1(CC)C(=O)N(C)C(=S)N(C)C1=O
- Molecular Weight1
- 228.31
- ω : Acentric Factor.
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation 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 | 0.5149 | Relay (1.0) Calculated Property | |
| ΔfG° | -52.34 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -341.33 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 80.88 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.26 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.49 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.008 | Crippen Calculated Property | |
| McVol | 176.050 | ml/mol | McGowan Calculated Property |
| Pc | 2360.34 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [1679.00; 1679.00] |
|
|
| Inp | 1679.00 | NIST | |
| Inp | 1679.00 | NIST | |
| Tboil | 555.88 | K | Relay (1.0) Calculated Property |
| Tc | 806.91 | K | Relay (1.0) Calculated Property |
| Tfus | 408.19 | K | Relay (1.0) Calculated Property |
| Vc | 0.603 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Thiobarbital Me.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- McGowan Method
- NIST Webbook
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