- InChI
- InChI=1S/C8H18S2/c1-4-5-9-7-10-6-8(2)3/h8H,4-7H2,1-3H3
- InChI Key
- LRMJYLUURYYHEI-UHFFFAOYSA-N
- Formula
- C8H18S2
- SMILES
- CCCSCSCC(C)C
- Molecular Weight1
- 178.36
- 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° | 80.28 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -129.99 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 21.21 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 46.65 | kJ/mol | Joback Calculated Property |
| log10WS | -3.19 | Crippen Calculated Property | |
| logPoct/wat | 3.476 | Crippen Calculated Property | |
| McVol | 156.280 | ml/mol | McGowan Calculated Property |
| Pc | 2646.11 | kPa | Joback Calculated Property |
| Inp | [1282.00; 1282.00] |
|
|
| Inp | 1282.00 | NIST | |
| Inp | 1282.00 | NIST | |
| Tboil | 519.56 | K | Joback Calculated Property |
| Tc | 730.16 | K | Joback Calculated Property |
| Tfus | 233.72 | K | Joback Calculated Property |
| Vc | 0.586 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [341.00; 419.83] | J/mol×K | [519.56; 730.16] |
|
| Cp,gas | 341.00 | J/mol×K | 519.56 | Joback Calculated Property |
| Cp,gas | 355.88 | J/mol×K | 554.66 | Joback Calculated Property |
| Cp,gas | 370.06 | J/mol×K | 589.76 | Joback Calculated Property |
| Cp,gas | 383.53 | J/mol×K | 624.86 | Joback Calculated Property |
| Cp,gas | 396.31 | J/mol×K | 659.96 | Joback Calculated Property |
| Cp,gas | 408.41 | J/mol×K | 695.06 | Joback Calculated Property |
| Cp,gas | 419.83 | J/mol×K | 730.16 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-methyl-4,6-dithianonane.
Sources
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