- InChI
- InChI=1S/C5H12S3/c1-4-6-8-7-5(2)3/h5H,4H2,1-3H3
- InChI Key
- PWJZVOZMBUCSOV-UHFFFAOYSA-N
- Formula
- C5H12S3
- SMILES
- CCSSSC(C)C
- Molecular Weight1
- 168.34
- 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° | 88.14 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -26.20 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 17.57 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 46.79 | kJ/mol | Joback Calculated Property |
| log10WS | -3.66 | Crippen Calculated Property | |
| logPoct/wat | 3.444 | Crippen Calculated Property | |
| McVol | 130.360 | ml/mol | McGowan Calculated Property |
| Pc | 3722.56 | kPa | Joback Calculated Property |
| Inp | [1199.00; 1199.00] |
|
|
| Inp | 1199.00 | NIST | |
| Inp | 1199.00 | NIST | |
| Tboil | 519.70 | K | Joback Calculated Property |
| Tc | 763.71 | K | Joback Calculated Property |
| Tfus | 234.31 | K | Joback Calculated Property |
| Vc | 0.471 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [258.40; 320.94] | J/mol×K | [519.70; 763.71] |
|
| Cp,gas | 258.40 | J/mol×K | 519.70 | Joback Calculated Property |
| Cp,gas | 270.44 | J/mol×K | 560.37 | Joback Calculated Property |
| Cp,gas | 281.85 | J/mol×K | 601.04 | Joback Calculated Property |
| Cp,gas | 292.62 | J/mol×K | 641.70 | Joback Calculated Property |
| Cp,gas | 302.74 | J/mol×K | 682.37 | Joback Calculated Property |
| Cp,gas | 312.18 | J/mol×K | 723.04 | Joback Calculated Property |
| Cp,gas | 320.94 | J/mol×K | 763.71 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-methyl-3,4,5-trithiaheptane.
Sources
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