- InChI
- InChI=1S/C8H10S2/c9-5-7-1-2-8(6-10)4-3-7/h1-4,9-10H,5-6H2
- InChI Key
- IYPNRTQAOXLCQW-UHFFFAOYSA-N
- Formula
- C8H10S2
- SMILES
- SCc1ccc(CS)cc1
- Molecular Weight1
- 170.29
- CAS
- 105-09-9
- Other Names
-
- «alpha»,«alpha»'-p-Xylenedithiol
- p-Xylene-«alpha»,«alpha»'-dithiol
- p-Xylylenedithiol
- 1,4-Benzenebis(methanethiol)
- 1,4-Bis(mercaptomethyl)benzene
- 4-(Sulfanylmethyl)benzyl hydrosulfide
- 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).
- Tboilr : Boiling point at reduced pressure (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° | 178.04 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 93.57 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 18.21 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 49.81 | kJ/mol | Joback Calculated Property |
| log10WS | -3.37 | Crippen Calculated Property | |
| logPoct/wat | 2.546 | Crippen Calculated Property | |
| McVol | 132.520 | ml/mol | McGowan Calculated Property |
| Pc | 4205.63 | kPa | Joback Calculated Property |
| Inp | 1578.80 | NIST | |
| Tboil | 539.82 | K | Joback Calculated Property |
| Tc | 800.21 | K | Joback Calculated Property |
| Tfus | 319.50 ± 0.50 | K | NIST |
| Vc | 0.483 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [265.44; 329.85] | J/mol×K | [539.82; 800.21] | 
|
| Cp,gas | 265.44 | J/mol×K | 539.82 | Joback Calculated Property |
| Cp,gas | 278.40 | J/mol×K | 583.22 | Joback Calculated Property |
| Cp,gas | 290.41 | J/mol×K | 626.62 | Joback Calculated Property |
| Cp,gas | 301.51 | J/mol×K | 670.01 | Joback Calculated Property |
| Cp,gas | 311.75 | J/mol×K | 713.41 | Joback Calculated Property |
| Cp,gas | 321.18 | J/mol×K | 756.81 | Joback Calculated Property |
| Cp,gas | 329.85 | J/mol×K | 800.21 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 429.00 | K | 1.60 | NIST |
Similar Compounds
Find more compounds similar to 1,4-Benzenedimethanethiol.
Sources
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