- InChI
- InChI=1S/C10H21NS2/c1-4-5-6-7-10-12-8(2)11-9(3)13-10/h8-11H,4-7H2,1-3H3
- InChI Key
- MOQYJFGRWHTLRP-UHFFFAOYSA-N
- Formula
- C10H21NS2
- SMILES
- CCCCCC1SC(C)NC(C)S1
- Molecular Weight1
- 219.41
- 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).
- 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 |
|---|---|---|---|
| ω | 0.4127 | Relay (... Calculated Property | |
| ΔfG° | 209.78 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -167.75 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 32.54 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 75.50 | kJ/mol | Relay (... Calculated Property |
| IE | 8.25 | eV | Relay (... Calculated Property |
| log10WS | -3.46 | Relay (... Calculated Property | |
| logPoct/wat | 3.654 | Crippen Calculated Property | |
| McVol | 183.580 | ml/mol | McGowan Calculated Property |
| Pc | 2436.25 | kPa | Joback Calculated Property |
| Inp | [1571.00; 1571.00] |
|
|
| Inp | 1571.00 | NIST | |
| Inp | 1571.00 | NIST | |
| Tboil | 549.28 | K | Relay (... Calculated Property |
| Tc | 750.86 | K | Relay (... Calculated Property |
| Tfus | 325.34 | K | Relay (... Calculated Property |
| Vc | 0.635 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [456.06; 559.20] | J/mol×K | [582.62; 809.24] |
|
| Cp,gas | 456.06 | J/mol×K | 582.62 | Joback Calculated Property |
| Cp,gas | 475.93 | J/mol×K | 620.39 | Joback Calculated Property |
| Cp,gas | 494.70 | J/mol×K | 658.16 | Joback Calculated Property |
| Cp,gas | 512.40 | J/mol×K | 695.93 | Joback Calculated Property |
| Cp,gas | 529.04 | J/mol×K | 733.70 | Joback Calculated Property |
| Cp,gas | 544.63 | J/mol×K | 771.47 | Joback Calculated Property |
| Cp,gas | 559.20 | J/mol×K | 809.24 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,3,5-Dithiazine, perhydro-4,6-dimethyl-2-pentyl.
Sources
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