- InChI
- InChI=1S/C9H19NS2/c1-6(2)5-9-11-7(3)10-8(4)12-9/h6-10H,5H2,1-4H3
- InChI Key
- FVPPILNIVWRBNY-UHFFFAOYSA-N
- Formula
- C9H19NS2
- SMILES
- CC(C)CC1SC(C)NC(C)S1
- Molecular Weight1
- 205.38
- 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° | 198.92 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -92.40 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 26.42 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 53.43 | kJ/mol | Joback Calculated Property |
| log10WS | -4.02 | Crippen Calculated Property | |
| logPoct/wat | 3.120 | Crippen Calculated Property | |
| McVol | 169.490 | ml/mol | McGowan Calculated Property |
| Pc | 2707.03 | kPa | Joback Calculated Property |
| Inp | [1423.00; 1423.00] |
|
|
| Inp | 1423.00 | NIST | |
| Inp | 1423.00 | NIST | |
| Tboil | 559.30 | K | Joback Calculated Property |
| Tc | 795.63 | K | Joback Calculated Property |
| Tfus | 447.02 | K | Joback Calculated Property |
| Vc | 0.594 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [406.50; 508.58] | J/mol×K | [559.30; 795.63] |
|
| Cp,gas | 406.50 | J/mol×K | 559.30 | Joback Calculated Property |
| Cp,gas | 426.24 | J/mol×K | 598.69 | Joback Calculated Property |
| Cp,gas | 444.87 | J/mol×K | 638.08 | Joback Calculated Property |
| Cp,gas | 462.40 | J/mol×K | 677.46 | Joback Calculated Property |
| Cp,gas | 478.86 | J/mol×K | 716.85 | Joback Calculated Property |
| Cp,gas | 494.25 | J/mol×K | 756.24 | Joback Calculated Property |
| Cp,gas | 508.58 | J/mol×K | 795.63 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,3,5-Dithiazine, perhydro, 4,6-dimethyl-2-(2-methylpropyl).
Sources
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