- InChI
- InChI=1S/C5H10S3/c1-5-4-8-7-3-2-6-5/h5H,2-4H2,1H3
- InChI Key
- RVOHMSHTYMGLHL-UHFFFAOYSA-N
- Formula
- C5H10S3
- SMILES
- CC1CSSCCS1
- Molecular Weight1
- 166.33
- 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° | 123.15 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 37.41 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 9.41 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 44.76 | kJ/mol | Joback Calculated Property |
| log10WS | -2.56 | Crippen Calculated Property | |
| logPoct/wat | 2.503 | Crippen Calculated Property | |
| McVol | 119.500 | ml/mol | McGowan Calculated Property |
| Pc | 4528.58 | kPa | Joback Calculated Property |
| Inp | [1293.00; 1298.00] |
|
|
| Inp | 1293.00 | NIST | |
| Inp | 1298.00 | NIST | |
| Inp | 1293.00 | NIST | |
| Inp | 1293.00 | NIST | |
| Tboil | 481.11 | K | Joback Calculated Property |
| Tc | 751.75 | K | Joback Calculated Property |
| Tfus | 400.32 | K | Joback Calculated Property |
| Vc | 0.379 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [225.98; 301.69] | J/mol×K | [481.11; 751.75] |
|
| Cp,gas | 225.98 | J/mol×K | 481.11 | Joback Calculated Property |
| Cp,gas | 241.07 | J/mol×K | 526.22 | Joback Calculated Property |
| Cp,gas | 255.14 | J/mol×K | 571.32 | Joback Calculated Property |
| Cp,gas | 268.20 | J/mol×K | 616.43 | Joback Calculated Property |
| Cp,gas | 280.29 | J/mol×K | 661.54 | Joback Calculated Property |
| Cp,gas | 291.45 | J/mol×K | 706.64 | Joback Calculated Property |
| Cp,gas | 301.69 | J/mol×K | 751.75 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-methyl-1,2,5-trithiepane.
Sources
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