- InChI
- InChI=1S/C7H16S2/c1-6(2)5-8-9-7(3)4/h6-7H,5H2,1-4H3
- InChI Key
- IYFXKQOEFVPRQY-UHFFFAOYSA-N
- Formula
- C7H16S2
- SMILES
- CC(C)CSSC(C)C
- Molecular Weight1
- 164.33
- CAS
- 67421-82-3
- Other Names
-
- 2,6-Dimethyl-3,4-dithiaheptane
- 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 | 0.3397 | Relay (1.0) Calculated Property | |
| ΔfG° | 69.42 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -147.33 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 15.10 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 51.91 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.26 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.82 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.432 | Crippen Calculated Property | |
| McVol | 142.190 | ml/mol | McGowan Calculated Property |
| Pc | 2953.69 | kPa | Joback Calculated Property |
| Inp | [1118.00; 1118.00] |
|
|
| Inp | 1118.00 | NIST | |
| Inp | 1118.00 | NIST | |
| Tboil | 460.47 | K | Relay (1.0) Calculated Property |
| Tc | 668.33 | K | Relay (1.0) Calculated Property |
| Tfus | 195.15 | K | Relay (1.0) Calculated Property |
| Vc | 0.512 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [296.83; 372.21] | J/mol×K | [496.24; 715.16] |
|
| Cp,gas | 296.83 | J/mol×K | 496.24 | Joback Calculated Property |
| Cp,gas | 311.09 | J/mol×K | 532.73 | Joback Calculated Property |
| Cp,gas | 324.67 | J/mol×K | 569.21 | Joback Calculated Property |
| Cp,gas | 337.56 | J/mol×K | 605.70 | Joback Calculated Property |
| Cp,gas | 349.78 | J/mol×K | 642.19 | Joback Calculated Property |
| Cp,gas | 361.33 | J/mol×K | 678.67 | Joback Calculated Property |
| Cp,gas | 372.21 | J/mol×K | 715.16 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isopropyl isobutyl disulfide.
Sources
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