![2-Ethyl[1,3]dithiane](/cid/80-945-4/2-Ethyl-1-3-dithiane.png "2-Ethyl[1,3]dithiane")
- InChI
- InChI=1S/C6H12S2/c1-2-6-7-4-3-5-8-6/h6H,2-5H2,1H3
- InChI Key
- MMCSAFCIQDJGDY-UHFFFAOYSA-N
- Formula
- C6H12S2
- SMILES
- CCC1SCCCS1
- Molecular Weight1
- 148.29
- CAS
- 6007-23-4
- Other Names
-
- 1,3-Dithiane, 2-ethyl
- 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° | 103.81 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -22.33 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 10.44 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 41.00 | kJ/mol | Joback Calculated Property |
| log10WS | -2.60 | Crippen Calculated Property | |
| logPoct/wat | 2.593 | Crippen Calculated Property | |
| McVol | 117.240 | ml/mol | McGowan Calculated Property |
| Pc | 3901.37 | kPa | Joback Calculated Property |
| Inp | [1129.00; 1131.00] |
|
|
| Inp | 1131.00 | NIST | |
| Inp | 1129.00 | NIST | |
| Inp | 1131.00 | NIST | |
| Tboil | 451.89 | K | Joback Calculated Property |
| Tc | 690.97 | K | Joback Calculated Property |
| Tfus | 331.66 | K | Joback Calculated Property |
| Vc | 0.397 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [225.07; 304.08] | J/mol×K | [451.89; 690.97] |
|
| Cp,gas | 225.07 | J/mol×K | 451.89 | Joback Calculated Property |
| Cp,gas | 240.44 | J/mol×K | 491.74 | Joback Calculated Property |
| Cp,gas | 254.89 | J/mol×K | 531.58 | Joback Calculated Property |
| Cp,gas | 268.45 | J/mol×K | 571.43 | Joback Calculated Property |
| Cp,gas | 281.14 | J/mol×K | 611.28 | Joback Calculated Property |
| Cp,gas | 293.01 | J/mol×K | 651.12 | Joback Calculated Property |
| Cp,gas | 304.08 | J/mol×K | 690.97 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Ethyl[1,3]dithiane.
Sources
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