- InChI
- InChI=1S/C5H8S2/c1-2-6-4-5-7-3-1/h1-2H,3-5H2
- InChI Key
- CXJKJDHACQPAJN-UHFFFAOYSA-N
- Formula
- C5H8S2
- SMILES
- C1=CSCCSC1
- Molecular Weight1
- 132.25
- 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 | 0.1693 | Relay (... Calculated Property | |
| ΔfG° | 120.96 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 61.32 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 5.91 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 61.84 | kJ/mol | Relay (... Calculated Property |
| IE | 8.01 | eV | Relay (... Calculated Property |
| log10WS | -1.55 | Relay (... Calculated Property | |
| logPoct/wat | 1.980 | Crippen Calculated Property | |
| McVol | 98.850 | ml/mol | McGowan Calculated Property |
| Pc | 5022.80 | kPa | Joback Calculated Property |
| Inp | [1107.00; 1113.00] |
|
|
| Inp | 1107.00 | NIST | |
| Inp | 1113.00 | NIST | |
| Tboil | 476.56 | K | Relay (... Calculated Property |
| Tc | 700.71 | K | Relay (... Calculated Property |
| Tfus | 271.68 | K | Relay (... Calculated Property |
| Vc | 0.318 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [168.45; 234.27] | J/mol×K | [437.11; 693.91] |
|
| Cp,gas | 168.45 | J/mol×K | 437.11 | Joback Calculated Property |
| Cp,gas | 181.59 | J/mol×K | 479.91 | Joback Calculated Property |
| Cp,gas | 193.81 | J/mol×K | 522.71 | Joback Calculated Property |
| Cp,gas | 205.16 | J/mol×K | 565.51 | Joback Calculated Property |
| Cp,gas | 215.66 | J/mol×K | 608.31 | Joback Calculated Property |
| Cp,gas | 225.35 | J/mol×K | 651.11 | Joback Calculated Property |
| Cp,gas | 234.27 | J/mol×K | 693.91 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,4-dithiacyclohept-5-ene.
Sources
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