- InChI
- InChI=1S/C6H12S2/c1-6-5-7-3-2-4-8-6/h6H,2-5H2,1H3
- InChI Key
- RSKLGGRVBKLLIF-UHFFFAOYSA-N
- Formula
- C6H12S2
- SMILES
- CC1CSCCCS1
- Molecular Weight1
- 148.29
- Other Names
-
- 1,4-Dithiacycloheptane, 3-methyl
- 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.
- 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 |
|---|---|---|---|
| ΔfG° | 91.71 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -28.49 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 8.34 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 41.18 | kJ/mol | Joback Calculated Property |
| log10WS | -2.11 | Crippen Calculated Property | |
| logPoct/wat | 2.245 | Crippen Calculated Property | |
| McVol | 117.240 | ml/mol | McGowan Calculated Property |
| Pc | 4026.13 | kPa | Joback Calculated Property |
| Inp | [1128.00; 1161.00] |
|
|
| Inp | 1161.00 | NIST | |
| Inp | 1128.00 | NIST | |
| Inp | 1160.00 | NIST | |
| Inp | 1161.00 | NIST | |
| I | 1635.00 | NIST | |
| Tboil | 456.16 | K | Joback Calculated Property |
| Tc | 705.33 | K | Joback Calculated Property |
| Tfus | 328.14 | K | Joback Calculated Property |
| Vc | 0.389 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [224.08; 308.58] | J/mol×K | [456.16; 705.33] |
|
| Cp,gas | 224.08 | J/mol×K | 456.16 | Joback Calculated Property |
| Cp,gas | 240.57 | J/mol×K | 497.69 | Joback Calculated Property |
| Cp,gas | 256.06 | J/mol×K | 539.22 | Joback Calculated Property |
| Cp,gas | 270.59 | J/mol×K | 580.75 | Joback Calculated Property |
| Cp,gas | 284.16 | J/mol×K | 622.27 | Joback Calculated Property |
| Cp,gas | 296.82 | J/mol×K | 663.80 | Joback Calculated Property |
| Cp,gas | 308.58 | J/mol×K | 705.33 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-methyl-1,4-dithiepane.
Sources
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