- InChI
- InChI=1S/C12H14O2S2/c1-9(13)15-7-11-3-5-12(6-4-11)8-16-10(2)14/h3-6H,7-8H2,1-2H3
- InChI Key
- LMMQNTZMZDKEPJ-UHFFFAOYSA-N
- Formula
- C12H14O2S2
- SMILES
- CC(=O)SCc1ccc(CSC(C)=O)cc1
- Molecular Weight1
- 254.37
- 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 | 0.5294 | Relay (1.0) Calculated Property | |
| ΔfG° | -38.66 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -269.18 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 31.95 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 88.14 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.71 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.09 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.246 | Crippen Calculated Property | |
| McVol | 192.020 | ml/mol | McGowan Calculated Property |
| Pc | 2787.66 | kPa | Joback Calculated Property |
| Inp | 2105.00 | NIST | |
| Tboil | 578.04 | K | Relay (1.0) Calculated Property |
| Tc | 800.12 | K | Relay (1.0) Calculated Property |
| Tfus | 329.62 | K | Relay (1.0) Calculated Property |
| Vc | 0.646 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [487.72; 547.92] | J/mol×K | [750.92; 999.06] | 
|
| Cp,gas | 487.72 | J/mol×K | 750.92 | Joback Calculated Property |
| Cp,gas | 500.54 | J/mol×K | 792.28 | Joback Calculated Property |
| Cp,gas | 512.21 | J/mol×K | 833.63 | Joback Calculated Property |
| Cp,gas | 522.76 | J/mol×K | 874.99 | Joback Calculated Property |
| Cp,gas | 532.21 | J/mol×K | 916.35 | Joback Calculated Property |
| Cp,gas | 540.59 | J/mol×K | 957.70 | Joback Calculated Property |
| Cp,gas | 547.92 | J/mol×K | 999.06 | Joback Calculated Property |
Similar Compounds
![Benzene, [(ethylthio)methyl]-.](data:image/png;base64,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)
Find more compounds similar to 1,4-Benzenedimethanethiol, S,S'-diacetyl-.
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