- InChI
- InChI=1S/C6H16N2S/c7-3-1-5-9-6-2-4-8/h1-8H2
- InChI Key
- QPIOXOJERGNNMX-UHFFFAOYSA-N
- Formula
- C6H16N2S
- SMILES
- NCCCSCCCN
- Molecular Weight1
- 148.27
- CAS
- 13643-20-4
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- IE : Ionization energy (eV).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Tboil : Normal Boiling Point Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -92.39 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 25.82 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 73.04 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.54 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 0.417 | Crippen Calculated Property | |
| McVol | 131.710 | ml/mol | McGowan Calculated Property |
| Pc | 3615.89 | kPa | Joback Calculated Property |
| Tboil | 526.83 | K | Relay (1.0) Calculated Property |
| Tfus | 274.27 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [314.32; 379.02] | J/mol×K | [550.72; 763.22] | 
|
| Cp,gas | 314.32 | J/mol×K | 550.72 | Joback Calculated Property |
| Cp,gas | 326.64 | J/mol×K | 586.14 | Joback Calculated Property |
| Cp,gas | 338.33 | J/mol×K | 621.55 | Joback Calculated Property |
| Cp,gas | 349.40 | J/mol×K | 656.97 | Joback Calculated Property |
| Cp,gas | 359.86 | J/mol×K | 692.39 | Joback Calculated Property |
| Cp,gas | 369.73 | J/mol×K | 727.81 | Joback Calculated Property |
| Cp,gas | 379.02 | J/mol×K | 763.22 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Thiodipropylamine.
Sources
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