- InChI
- InChI=1S/C7H14S2/c1-3-7(4-2)8-5-6-9-7/h3-6H2,1-2H3
- InChI Key
- FMCABCBXHDYTHA-UHFFFAOYSA-N
- Formula
- C7H14S2
- SMILES
- CCC1(CC)SCCS1
- Molecular Weight1
- 162.32
- CAS
- 26733-25-5
- 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 | 0.2691 | Relay (... Calculated Property | |
| ΔfG° | 118.84 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -68.58 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 8.84 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 59.11 | kJ/mol | Relay (... Calculated Property |
| IE | 8.17 | eV | Relay (... Calculated Property |
| log10WS | -2.97 | Relay (... Calculated Property | |
| logPoct/wat | 2.983 | Crippen Calculated Property | |
| McVol | 131.330 | ml/mol | McGowan Calculated Property |
| Pc | 3555.77 | kPa | Joback Calculated Property |
| Inp | [1253.00; 1253.00] |
|
|
| Inp | 1253.00 | NIST | |
| Inp | 1253.00 | NIST | |
| Tboil | 476.63 | K | Relay (... Calculated Property |
| Tc | 699.21 | K | Relay (... Calculated Property |
| Tfus | 252.02 | K | Relay (... Calculated Property |
| Vc | 0.435 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [268.43; 346.34] | J/mol×K | [470.74; 706.95] |
|
| Cp,gas | 268.43 | J/mol×K | 470.74 | Joback Calculated Property |
| Cp,gas | 283.99 | J/mol×K | 510.11 | Joback Calculated Property |
| Cp,gas | 298.32 | J/mol×K | 549.48 | Joback Calculated Property |
| Cp,gas | 311.56 | J/mol×K | 588.85 | Joback Calculated Property |
| Cp,gas | 323.88 | J/mol×K | 628.21 | Joback Calculated Property |
| Cp,gas | 335.41 | J/mol×K | 667.58 | Joback Calculated Property |
| Cp,gas | 346.34 | J/mol×K | 706.95 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,2-Diethyl-1,3-dithiolane.
Sources
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