- InChI
- InChI=1S/C2H4S2/c1-3-2-4-1/h1-2H2
- InChI Key
- ITXACGPMGJCSKF-UHFFFAOYSA-N
- Formula
- C2H4S2
- SMILES
- C1SCS1
- Molecular Weight1
- 92.18
- CAS
- 287-53-6
- Other Names
-
- 1,3-Dithiethane
- 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 |
|---|---|---|---|
| ΔfG° | 102.04 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 92.89 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 3.21 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 32.06 | kJ/mol | Joback Calculated Property |
| IE | [8.50; 8.95] | eV |
|
| IE | 8.50 | eV | NIST |
| IE | 8.95 | eV | NIST |
| log10WS | -1.31 | Crippen Calculated Property | |
| logPoct/wat | 1.381 | Crippen Calculated Property | |
| McVol | 60.880 | ml/mol | McGowan Calculated Property |
| Pc | 6567.04 | kPa | Joback Calculated Property |
| Inp | [783.00; 806.00] |
|
|
| Inp | 806.00 | NIST | |
| Inp | 783.00 | NIST | |
| Inp | 786.00 | NIST | |
| Inp | 786.00 | NIST | |
| Inp | 783.00 | NIST | |
| Inp | 784.00 | NIST | |
| Inp | 806.00 | NIST | |
| Tboil | 356.50 | K | Joback Calculated Property |
| Tc | 587.90 | K | Joback Calculated Property |
| Tfus | 297.86 | K | Joback Calculated Property |
| Vc | 0.190 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [83.70; 117.38] | J/mol×K | [356.50; 587.90] |
|
| Cp,gas | 83.70 | J/mol×K | 356.50 | Joback Calculated Property |
| Cp,gas | 90.66 | J/mol×K | 395.07 | Joback Calculated Property |
| Cp,gas | 97.02 | J/mol×K | 433.63 | Joback Calculated Property |
| Cp,gas | 102.82 | J/mol×K | 472.20 | Joback Calculated Property |
| Cp,gas | 108.13 | J/mol×K | 510.76 | Joback Calculated Property |
| Cp,gas | 112.96 | J/mol×K | 549.33 | Joback Calculated Property |
| Cp,gas | 117.38 | J/mol×K | 587.90 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,3-dithietane.
Sources
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