- InChI
- InChI=1S/C6H14N2S/c1-4-7-5(2)9-6(3)8-4/h4-8H,1-3H3
- InChI Key
- PLCVUJTXVJDGBN-UHFFFAOYSA-N
- Formula
- C6H14N2S
- SMILES
- CC1NC(C)SC(C)N1
- Molecular Weight1
- 146.25
- CAS
- 53897-63-5
- Other Names
-
- 1,3,5-Thiadiazine, perhydro-2,4,6-trimethyl
- 2,4,6-Trimethyltetrahydro-1,3,5-thiadiazine
- 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° | 223.95 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -32.65 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 28.11 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 48.09 | kJ/mol | Joback Calculated Property |
| log10WS | -2.31 | Crippen Calculated Property | |
| logPoct/wat | 0.950 | Crippen Calculated Property | |
| McVol | 120.850 | ml/mol | McGowan Calculated Property |
| Pc | 3853.09 | kPa | Joback Calculated Property |
| Inp | [1062.00; 1084.00] |
|
|
| Inp | 1062.00 | NIST | |
| Inp | Outlier 1084.00 | NIST | |
| Inp | 1066.00 | NIST | |
| Inp | 1068.00 | NIST | |
| Inp | 1062.00 | NIST | |
| Inp | 1066.00 | NIST | |
| Tboil | 491.82 | K | Joback Calculated Property |
| Tc | 727.92 | K | Joback Calculated Property |
| Tfus | 449.79 | K | Joback Calculated Property |
| Vc | 0.422 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [263.12; 351.32] | J/mol×K | [491.82; 727.92] |
|
| Cp,gas | 263.12 | J/mol×K | 491.82 | Joback Calculated Property |
| Cp,gas | 279.73 | J/mol×K | 531.17 | Joback Calculated Property |
| Cp,gas | 295.59 | J/mol×K | 570.52 | Joback Calculated Property |
| Cp,gas | 310.70 | J/mol×K | 609.87 | Joback Calculated Property |
| Cp,gas | 325.04 | J/mol×K | 649.22 | Joback Calculated Property |
| Cp,gas | 338.58 | J/mol×K | 688.57 | Joback Calculated Property |
| Cp,gas | 351.32 | J/mol×K | 727.92 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3,4,5,6-Tetrahydro-2,4,6-trimethyl-2H-1,3,5-thiadiazine.
Sources
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Outlier This icon means
that the value is more than 2 standard deviations away from the
property mean.