- InChI
- InChI=1S/C6H12S2/c1-3-6(2)7-4-5-8-6/h3-5H2,1-2H3
- InChI Key
- HTKIVHYYNMKZDN-UHFFFAOYSA-N
- Formula
- C6H12S2
- SMILES
- CCC1(C)SCCS1
- Molecular Weight1
- 148.29
- CAS
- 6008-81-7
- Other Names
-
- 1,3-Dithiolane, 2-ethyl-2-methyl-
- 2-Methyl-2-ethyl-1,3-dithiolane
- 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° | 110.42 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -0.93 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 6.25 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 39.68 | 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 | 4000.70 | kPa | Joback Calculated Property |
| Inp | [1136.00; 1136.00] |
|
|
| Inp | 1136.00 | NIST | |
| Inp | 1136.00 | NIST | |
| Tboil | 447.86 | K | Joback Calculated Property |
| Tc | 688.14 | K | Joback Calculated Property |
| Tfus | 359.08 | K | Joback Calculated Property |
| Vc | 0.403 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [226.95; 298.60] | J/mol×K | [447.86; 688.14] |
|
| Cp,gas | 226.95 | J/mol×K | 447.86 | Joback Calculated Property |
| Cp,gas | 241.50 | J/mol×K | 487.91 | Joback Calculated Property |
| Cp,gas | 254.80 | J/mol×K | 527.95 | Joback Calculated Property |
| Cp,gas | 267.00 | J/mol×K | 568.00 | Joback Calculated Property |
| Cp,gas | 278.26 | J/mol×K | 608.04 | Joback Calculated Property |
| Cp,gas | 288.74 | J/mol×K | 648.09 | Joback Calculated Property |
| Cp,gas | 298.60 | J/mol×K | 688.14 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Ethyl-2-methyl-1,3-dithiolane.
Sources
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