- InChI
- InChI=1S/C5H10S3/c1-4-3-6-8-5(2)7-4/h4-5H,3H2,1-2H3
- InChI Key
- WGYYZGNXEPWBGI-UHFFFAOYSA-N
- Formula
- C5H10S3
- SMILES
- CC1CSSC(C)S1
- 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° | 127.54 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 23.23 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 12.58 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 44.28 | kJ/mol | Joback Calculated Property |
| log10WS | -3.17 | Crippen Calculated Property | |
| logPoct/wat | 2.849 | Crippen Calculated Property | |
| McVol | 119.500 | ml/mol | McGowan Calculated Property |
| Pc | 4194.74 | kPa | Joback Calculated Property |
| Inp | [1261.00; 1274.00] |
|
|
| Inp | 1261.00 | NIST | |
| Inp | 1274.00 | NIST | |
| Inp | 1261.00 | NIST | |
| Tboil | 472.17 | K | Joback Calculated Property |
| Tc | 731.77 | K | Joback Calculated Property |
| Tfus | 399.60 | K | Joback Calculated Property |
| Vc | 0.386 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [228.14; 301.46] | J/mol×K | [472.17; 731.77] |
|
| Cp,gas | 228.14 | J/mol×K | 472.17 | Joback Calculated Property |
| Cp,gas | 242.55 | J/mol×K | 515.44 | Joback Calculated Property |
| Cp,gas | 256.04 | J/mol×K | 558.70 | Joback Calculated Property |
| Cp,gas | 268.65 | J/mol×K | 601.97 | Joback Calculated Property |
| Cp,gas | 280.41 | J/mol×K | 645.24 | Joback Calculated Property |
| Cp,gas | 291.33 | J/mol×K | 688.50 | Joback Calculated Property |
| Cp,gas | 301.46 | J/mol×K | 731.77 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3,5-dimethyl-1,2,4-trithiane.
Sources
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