- InChI
- InChI=1S/C4H9NS3/c1-3-5-4(2)7-8-6-3/h3-5H,1-2H3
- InChI Key
- BOGSLBMMIZYSFR-UHFFFAOYSA-N
- Formula
- C4H9NS3
- SMILES
- CC1NC(C)SSS1
- Molecular Weight1
- 167.32
- 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° | 206.83 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 81.68 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 19.58 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 48.81 | kJ/mol | Joback Calculated Property |
| log10WS | -3.43 | Crippen Calculated Property | |
| logPoct/wat | 2.311 | Crippen Calculated Property | |
| McVol | 115.390 | ml/mol | McGowan Calculated Property |
| Pc | 4938.44 | kPa | Joback Calculated Property |
| Inp | [1110.00; 1110.00] |
|
|
| Inp | 1110.00 | NIST | |
| Inp | 1110.00 | NIST | |
| Tboil | 497.84 | K | Joback Calculated Property |
| Tc | 768.60 | K | Joback Calculated Property |
| Tfus | 493.36 | K | Joback Calculated Property |
| Vc | 0.366 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [223.64; 291.57] | J/mol×K | [497.84; 768.60] |
|
| Cp,gas | 223.64 | J/mol×K | 497.84 | Joback Calculated Property |
| Cp,gas | 236.94 | J/mol×K | 542.97 | Joback Calculated Property |
| Cp,gas | 249.44 | J/mol×K | 588.09 | Joback Calculated Property |
| Cp,gas | 261.15 | J/mol×K | 633.22 | Joback Calculated Property |
| Cp,gas | 272.07 | J/mol×K | 678.35 | Joback Calculated Property |
| Cp,gas | 282.21 | J/mol×K | 723.48 | Joback Calculated Property |
| Cp,gas | 291.57 | J/mol×K | 768.60 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,2,3,5-Trithiazine, perhydro, 4,6-dimethyl.
Sources
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