- InChI
- InChI=1S/C3H6S2/c1-2-4-5-3-1/h1-3H2
- InChI Key
- MUZIZEZCKKMZRT-UHFFFAOYSA-N
- Formula
- C3H6S2
- SMILES
- C1CSSC1
- Molecular Weight1
- 106.21
- CAS
- 557-22-2
- Other Names
-
- 1,2-Dithiacyclopentane
- 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.
- I : 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 | 0.2158 | Relay (1.0) Calculated Property | |
| ΔfG° | 98.36 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 23.89 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 3.70 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 49.20 | kJ/mol | Relay (1.0) Calculated Property |
| IE | [7.60; 8.25] | eV |
|
| IE | 7.60 | eV | NIST |
| IE | 8.25 | eV | NIST |
| log10WS | -1.26 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.772 | Crippen Calculated Property | |
| McVol | 74.970 | ml/mol | McGowan Calculated Property |
| Pc | 5871.90 | kPa | Joback Calculated Property |
| Inp | [960.00; 986.00] |
|
|
| Inp | 978.00 | NIST | |
| Inp | 960.00 | NIST | |
| Inp | 963.00 | NIST | |
| Inp | 963.00 | NIST | |
| Inp | 985.00 | NIST | |
| Inp | 978.00 | NIST | |
| Inp | 986.00 | NIST | |
| I | 1523.00 | NIST | |
| Tboil | 444.45 | K | Relay (1.0) Calculated Property |
| Tc | 692.39 | K | Relay (1.0) Calculated Property |
| Tfus | 243.20 | K | Relay (1.0) Calculated Property |
| Vc | 0.256 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [113.20; 160.85] | J/mol×K | [383.65; 623.34] |
|
| Cp,gas | 113.20 | J/mol×K | 383.65 | Joback Calculated Property |
| Cp,gas | 122.76 | J/mol×K | 423.60 | Joback Calculated Property |
| Cp,gas | 131.61 | J/mol×K | 463.55 | Joback Calculated Property |
| Cp,gas | 139.81 | J/mol×K | 503.50 | Joback Calculated Property |
| Cp,gas | 147.38 | J/mol×K | 543.44 | Joback Calculated Property |
| Cp,gas | 154.38 | J/mol×K | 583.39 | Joback Calculated Property |
| Cp,gas | 160.85 | J/mol×K | 623.34 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,2-Dithiolane.
Sources
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