- InChI
- InChI=1S/C9H19NS2/c1-4-5-6-9-11-7(2)10-8(3)12-9/h7-10H,4-6H2,1-3H3
- InChI Key
- OXGNUIYUJXPIIQ-UHFFFAOYSA-N
- Formula
- C9H19NS2
- SMILES
- CCCCC1SC(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° | 201.36 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -87.12 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 29.95 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 53.82 | kJ/mol | Joback Calculated Property |
| log10WS | -4.26 | Crippen Calculated Property | |
| logPoct/wat | 3.264 | Crippen Calculated Property | |
| McVol | 169.490 | ml/mol | McGowan Calculated Property |
| Pc | 2684.64 | kPa | Joback Calculated Property |
| Inp | [1453.00; 1453.00] |
|
|
| Inp | 1453.00 | NIST | |
| Inp | 1453.00 | NIST | |
| Tboil | 559.74 | K | Joback Calculated Property |
| Tc | 790.77 | K | Joback Calculated Property |
| Tfus | 462.02 | K | Joback Calculated Property |
| Vc | 0.600 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [406.18; 506.12] | J/mol×K | [559.74; 790.77] |
|
| Cp,gas | 406.18 | J/mol×K | 559.74 | Joback Calculated Property |
| Cp,gas | 425.41 | J/mol×K | 598.25 | Joback Calculated Property |
| Cp,gas | 443.60 | J/mol×K | 636.75 | Joback Calculated Property |
| Cp,gas | 460.75 | J/mol×K | 675.26 | Joback Calculated Property |
| Cp,gas | 476.88 | J/mol×K | 713.76 | Joback Calculated Property |
| Cp,gas | 492.00 | J/mol×K | 752.27 | Joback Calculated Property |
| Cp,gas | 506.12 | J/mol×K | 790.77 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,3,5-Dithiazine, perhydro-2-butyl-4,6-dimethyl.
Sources
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