- InChI
- InChI=1S/C6H12S2/c1-5-3-8-6(2)4-7-5/h5-6H,3-4H2,1-2H3
- InChI Key
- OGQAHQBLZPEVNY-UHFFFAOYSA-N
- Formula
- C6H12S2
- SMILES
- CC1CSC(C)CS1
- Molecular Weight1
- 148.29
- CAS
- 72033-37-5
- Other Names
-
- 2,5-dimethyl-1,4-dithiane
- 1,4-Dithiacyclohexane, 3,6-dimethyl
- 1,4-Dithiane, 3,6-dimethyl
- 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.
- I : 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 | 0.2431 | Relay (1.0) Calculated Property | |
| ΔfG° | 96.10 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -86.73 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 11.52 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 57.55 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.43 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.00 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.243 | Crippen Calculated Property | |
| McVol | 117.240 | ml/mol | McGowan Calculated Property |
| Pc | 3745.38 | kPa | Joback Calculated Property |
| Inp | [1130.00; 1162.00] |
|
|
| Inp | 1130.00 | NIST | |
| Inp | 1136.00 | NIST | |
| Inp | 1134.00 | NIST | |
| Inp | 1157.00 | NIST | |
| Inp | Outlier 1162.00 | NIST | |
| Inp | 1137.00 | NIST | |
| Inp | 1145.00 | NIST | |
| Inp | 1138.00 | NIST | |
| Inp | 1133.00 | NIST | |
| Inp | 1130.00 | NIST | |
| Inp | 1137.00 | NIST | |
| I | [1584.00; 1584.00] |
|
|
| I | 1584.00 | NIST | |
| I | 1584.00 | NIST | |
| Tboil | 471.94 | K | Relay (1.0) Calculated Property |
| Tc | 676.62 | K | Relay (1.0) Calculated Property |
| Tfus | 264.02 | K | Relay (1.0) Calculated Property |
| Vc | 0.400 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [225.86; 307.49] | J/mol×K | [447.22; 686.04] |
|
| Cp,gas | 225.86 | J/mol×K | 447.22 | Joback Calculated Property |
| Cp,gas | 241.60 | J/mol×K | 487.02 | Joback Calculated Property |
| Cp,gas | 256.46 | J/mol×K | 526.83 | Joback Calculated Property |
| Cp,gas | 270.45 | J/mol×K | 566.63 | Joback Calculated Property |
| Cp,gas | 283.61 | J/mol×K | 606.43 | Joback Calculated Property |
| Cp,gas | 295.94 | J/mol×K | 646.23 | Joback Calculated Property |
| Cp,gas | 307.49 | J/mol×K | 686.04 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3,6-dimethyl-1,4-dithiane.
Sources
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Outlier This icon means
that the value is more than 2 standard deviations away from the
property mean.