- InChI
- InChI=1S/C12H28N2S3/c1-5-13(6-2)9-11-15-17-16-12-10-14(7-3)8-4/h5-12H2,1-4H3
- InChI Key
- PCNJNSWULFZYJX-UHFFFAOYSA-N
- Formula
- C12H28N2S3
- SMILES
- CCN(CC)CCSSSCCN(CC)CC
- Molecular Weight1
- 296.56
- 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° | 371.08 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -30.34 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 45.27 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 66.84 | kJ/mol | Joback Calculated Property |
| log10WS | -3.62 | Crippen Calculated Property | |
| logPoct/wat | 3.700 | Crippen Calculated Property | |
| McVol | 248.950 | ml/mol | McGowan Calculated Property |
| Pc | 1853.11 | kPa | Joback Calculated Property |
| Inp | [2010.00; 2030.00] |
|
|
| Inp | 2010.00 | NIST | |
| Inp | 2030.00 | NIST | |
| Inp | 2010.00 | NIST | |
| Inp | 2010.00 | NIST | |
| Inp | 2030.00 | NIST | |
| Inp | 2010.00 | NIST | |
| Tboil | 705.18 | K | Joback Calculated Property |
| Tc | 910.36 | K | Joback Calculated Property |
| Tfus | 393.14 | K | Joback Calculated Property |
| Vc | 0.905 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [677.45; 766.28] | J/mol×K | [705.18; 910.36] |
|
| Cp,gas | 677.45 | J/mol×K | 705.18 | Joback Calculated Property |
| Cp,gas | 694.85 | J/mol×K | 739.38 | Joback Calculated Property |
| Cp,gas | 711.16 | J/mol×K | 773.57 | Joback Calculated Property |
| Cp,gas | 726.44 | J/mol×K | 807.77 | Joback Calculated Property |
| Cp,gas | 740.69 | J/mol×K | 841.97 | Joback Calculated Property |
| Cp,gas | 753.97 | J/mol×K | 876.16 | Joback Calculated Property |
| Cp,gas | 766.28 | J/mol×K | 910.36 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to bis-(2-Diethylaminoethyl) trisulfide.
Sources
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