- InChI
- InChI=1S/C4H6S3/c1-2-4-6-7-5-3-1/h1-2H,3-4H2
- InChI Key
- MXSCIZUZMRVGGL-UHFFFAOYSA-N
- Formula
- C4H6S3
- SMILES
- C1=CCSSSC1
- Molecular Weight1
- 150.28
- 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° | 152.40 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 136.17 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 6.97 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 43.14 | kJ/mol | Joback Calculated Property |
| log10WS | -2.88 | Crippen Calculated Property | |
| logPoct/wat | 2.586 | Crippen Calculated Property | |
| McVol | 101.110 | ml/mol | McGowan Calculated Property |
| Pc | 5730.52 | kPa | Joback Calculated Property |
| Inp | [1319.00; 1319.00] |
|
|
| Inp | 1319.00 | NIST | |
| Inp | 1319.00 | NIST | |
| Tboil | 462.06 | K | Joback Calculated Property |
| Tc | 741.84 | K | Joback Calculated Property |
| Tfus | 394.05 | K | Joback Calculated Property |
| Vc | 0.309 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [169.03; 224.71] | J/mol×K | [462.06; 741.84] |
|
| Cp,gas | 169.03 | J/mol×K | 462.06 | Joback Calculated Property |
| Cp,gas | 180.47 | J/mol×K | 508.69 | Joback Calculated Property |
| Cp,gas | 190.99 | J/mol×K | 555.32 | Joback Calculated Property |
| Cp,gas | 200.63 | J/mol×K | 601.95 | Joback Calculated Property |
| Cp,gas | 209.43 | J/mol×K | 648.58 | Joback Calculated Property |
| Cp,gas | 217.44 | J/mol×K | 695.21 | Joback Calculated Property |
| Cp,gas | 224.71 | J/mol×K | 741.84 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,2,3-trithia-5-cycloheptene.
Sources
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