- InChI
- InChI=1S/C8H17NS2/c1-5(2)8-9-6(3)10-7(4)11-8/h5-9H,1-4H3
- InChI Key
- NOOYZCFJVKLILW-UHFFFAOYSA-N
- Formula
- C8H17NS2
- SMILES
- CC1NC(C(C)C)SC(C)S1
- Molecular Weight1
- 191.36
- CAS
- 104691-41-0
- Other Names
-
- 1,3,5-Dithiazine, perhydro-2,4-dimethyl-6-(1-methylethyl)
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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).
- 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 |
|---|---|---|---|
| ω | 0.3116 | Relay (... Calculated Property | |
| ΔfG° | 190.50 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -119.58 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 23.83 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 68.91 | kJ/mol | Relay (... Calculated Property |
| IE | 8.18 | eV | Relay (... Calculated Property |
| log10WS | -2.46 | Relay (... Calculated Property | |
| logPoct/wat | 2.730 | Crippen Calculated Property | |
| McVol | 155.400 | ml/mol | McGowan Calculated Property |
| Pc | 2999.15 | kPa | Joback Calculated Property |
| Tboil | 508.93 | K | Relay (... Calculated Property |
| Tc | 719.24 | K | Relay (... Calculated Property |
| Tfus | 342.19 | K | Relay (... Calculated Property |
| Vc | 0.521 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [358.29; 456.48] | J/mol×K | [536.42; 777.58] | 
|
| Cp,gas | 358.29 | J/mol×K | 536.42 | Joback Calculated Property |
| Cp,gas | 377.25 | J/mol×K | 576.61 | Joback Calculated Property |
| Cp,gas | 395.16 | J/mol×K | 616.81 | Joback Calculated Property |
| Cp,gas | 412.03 | J/mol×K | 657.00 | Joback Calculated Property |
| Cp,gas | 427.87 | J/mol×K | 697.19 | Joback Calculated Property |
| Cp,gas | 442.68 | J/mol×K | 737.39 | Joback Calculated Property |
| Cp,gas | 456.48 | J/mol×K | 777.58 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,4-dimethyl-6-(propan-2-yl)-1,3,5-dithiazinane.
Sources
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