- InChI
- InChI=1S/C8H10S2/c1-9-7-4-3-5-8(6-7)10-2/h3-6H,1-2H3
- InChI Key
- IWGCIWHKAAGKNA-UHFFFAOYSA-N
- Formula
- C8H10S2
- SMILES
- CSc1cccc(SC)c1
- Molecular Weight1
- 170.29
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | 185.50 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 100.35 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 18.39 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 49.97 | kJ/mol | Joback Calculated Property |
| log10WS | -2.96 | Crippen Calculated Property | |
| logPoct/wat | 3.130 | Crippen Calculated Property | |
| McVol | 132.520 | ml/mol | McGowan Calculated Property |
| Pc | 3736.23 | kPa | Joback Calculated Property |
| Inp | 1548.50 | NIST | |
| Tboil | 551.66 | K | Joback Calculated Property |
| Tc | 810.58 | K | Joback Calculated Property |
| Tfus | 287.66 | K | Joback Calculated Property |
| Vc | 0.483 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [269.16; 334.81] | J/mol×K | [551.66; 810.58] | 
|
| Cp,gas | 269.16 | J/mol×K | 551.66 | Joback Calculated Property |
| Cp,gas | 282.32 | J/mol×K | 594.81 | Joback Calculated Property |
| Cp,gas | 294.57 | J/mol×K | 637.97 | Joback Calculated Property |
| Cp,gas | 305.93 | J/mol×K | 681.12 | Joback Calculated Property |
| Cp,gas | 316.41 | J/mol×K | 724.28 | Joback Calculated Property |
| Cp,gas | 326.03 | J/mol×K | 767.43 | Joback Calculated Property |
| Cp,gas | 334.81 | J/mol×K | 810.58 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,3-Benzenedithiol, S,S'-dimethyl-.
Sources
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