- InChI
- InChI=1S/C7H16S2/c1-4-5-6-8-9-7(2)3/h7H,4-6H2,1-3H3
- InChI Key
- HODYAASMHKKQBS-UHFFFAOYSA-N
- Formula
- C7H16S2
- SMILES
- CCCCSSC(C)C
- Molecular Weight1
- 164.33
- CAS
- 72437-53-7
- Other Names
-
- Isopropyl n-butyl disulphide
- 2-methyl-3,4-dithiaoctane
- 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° | 71.86 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -109.35 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 18.62 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 44.42 | kJ/mol | Joback Calculated Property |
| log10WS | -3.62 | Crippen Calculated Property | |
| logPoct/wat | 3.576 | Crippen Calculated Property | |
| McVol | 142.190 | ml/mol | McGowan Calculated Property |
| Pc | 2928.17 | kPa | Joback Calculated Property |
| Inp | [1163.00; 1165.00] |
|
|
| Inp | 1165.00 | NIST | |
| Inp | 1163.00 | NIST | |
| Inp | 1165.00 | NIST | |
| I | 1445.00 | NIST | |
| Tboil | 496.68 | K | Joback Calculated Property |
| Tc | 710.61 | K | Joback Calculated Property |
| Tfus | 222.45 | K | Joback Calculated Property |
| Vc | 0.529 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [296.60; 370.16] | J/mol×K | [496.68; 710.61] |
|
| Cp,gas | 296.60 | J/mol×K | 496.68 | Joback Calculated Property |
| Cp,gas | 310.45 | J/mol×K | 532.33 | Joback Calculated Property |
| Cp,gas | 323.66 | J/mol×K | 567.99 | Joback Calculated Property |
| Cp,gas | 336.24 | J/mol×K | 603.64 | Joback Calculated Property |
| Cp,gas | 348.17 | J/mol×K | 639.30 | Joback Calculated Property |
| Cp,gas | 359.48 | J/mol×K | 674.95 | Joback Calculated Property |
| Cp,gas | 370.16 | J/mol×K | 710.61 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Disulfide, butyl (1-methylethyl).
Sources
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