- InChI
- InChI=1S/C6H12S2/c1-5-3-7-4-6(2)8-5/h5-6H,3-4H2,1-2H3
- InChI Key
- VUMHVPHHEVBMOI-UHFFFAOYSA-N
- Formula
- C6H12S2
- SMILES
- CC1CSCC(C)S1
- Molecular Weight1
- 148.29
- 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 | 0.2342 | Relay (1.0) Calculated Property | |
| ΔfG° | 96.10 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -75.45 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 11.52 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 55.40 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.38 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.69 | 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 | [1123.00; 1123.00] |
|
|
| Inp | 1123.00 | NIST | |
| Inp | 1123.00 | NIST | |
| Tboil | 475.90 | K | Relay (1.0) Calculated Property |
| Tc | 695.39 | K | Relay (1.0) Calculated Property |
| Tfus | 268.92 | K | Relay (1.0) Calculated Property |
| Vc | 0.392 | 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 1,4-Dithiane, 3,5-dimethyl, #1.
Sources
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