- InChI
- InChI=1S/C3H8S2/c1-2-3(4)5/h3-5H,2H2,1H3
- InChI Key
- NCNISYUOWMIOPI-UHFFFAOYSA-N
- Formula
- C3H8S2
- SMILES
- CCC(S)S
- Molecular Weight1
- 108.23
- 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° | 30.72 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -33.57 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 8.09 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 35.36 | kJ/mol | Joback Calculated Property |
| log10WS | -1.83 | Crippen Calculated Property | |
| logPoct/wat | 1.582 | Crippen Calculated Property | |
| McVol | 85.830 | ml/mol | McGowan Calculated Property |
| Pc | 5327.93 | kPa | Joback Calculated Property |
| Inp | [839.00; 839.00] |
|
|
| Inp | 839.00 | NIST | |
| Inp | 839.00 | NIST | |
| Tboil | 393.32 | K | Joback Calculated Property |
| Tc | 619.83 | K | Joback Calculated Property |
| Tfus | 181.49 | K | Joback Calculated Property |
| Vc | 0.305 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [138.81; 181.16] | J/mol×K | [393.32; 619.83] |
|
| Cp,gas | 138.81 | J/mol×K | 393.32 | Joback Calculated Property |
| Cp,gas | 146.84 | J/mol×K | 431.07 | Joback Calculated Property |
| Cp,gas | 154.47 | J/mol×K | 468.82 | Joback Calculated Property |
| Cp,gas | 161.70 | J/mol×K | 506.57 | Joback Calculated Property |
| Cp,gas | 168.56 | J/mol×K | 544.33 | Joback Calculated Property |
| Cp,gas | 175.04 | J/mol×K | 582.08 | Joback Calculated Property |
| Cp,gas | 181.16 | J/mol×K | 619.83 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,1-Propanedithiol.
Sources
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