- InChI
- InChI=1S/C6H14S2/c1-6(2)4-5-8-7-3/h6H,4-5H2,1-3H3
- InChI Key
- XTTOMWDBKHINLK-UHFFFAOYSA-N
- Formula
- C6H14S2
- SMILES
- CSSCCC(C)C
- Molecular Weight1
- 150.31
- CAS
- 72437-56-0
- Other Names
-
- Methyl isopentyl disulphide
- Methyl i-amyl disulfide
- Disulfide, methyl 3-methylbutyl
- 2-Methyl-5,6-dithiaheptane
- Isopentyl methyl disulfide
- Methyl isopentyl disulfide
- Isoamyl methyl disulfide
- 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.
- 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 |
|---|---|---|---|
| ω | 0.3297 | Relay (... Calculated Property | |
| ΔfG° | 63.44 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -112.62 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 16.03 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 51.70 | kJ/mol | Relay (... Calculated Property |
| IE | 8.53 | eV | Relay (... Calculated Property |
| log10WS | -3.13 | Relay (... Calculated Property | |
| logPoct/wat | 3.044 | Crippen Calculated Property | |
| McVol | 128.100 | ml/mol | McGowan Calculated Property |
| Pc | 3257.86 | kPa | Joback Calculated Property |
| Inp | [1102.00; 1102.00] |
|
|
| Inp | 1102.00 | NIST | |
| Inp | 1102.00 | NIST | |
| I | [1411.00; 1411.00] |
|
|
| I | 1411.00 | NIST | |
| I | 1411.00 | NIST | |
| Tboil | 454.73 | K | Relay (... Calculated Property |
| Tc | 653.20 | K | Relay (... Calculated Property |
| Tfus | 198.09 | K | Relay (... Calculated Property |
| Vc | 0.444 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [254.21; 321.69] | J/mol×K | [473.80; 691.06] |
|
| Cp,gas | 254.21 | J/mol×K | 473.80 | Joback Calculated Property |
| Cp,gas | 266.88 | J/mol×K | 510.01 | Joback Calculated Property |
| Cp,gas | 278.98 | J/mol×K | 546.22 | Joback Calculated Property |
| Cp,gas | 290.51 | J/mol×K | 582.43 | Joback Calculated Property |
| Cp,gas | 301.47 | J/mol×K | 618.64 | Joback Calculated Property |
| Cp,gas | 311.87 | J/mol×K | 654.85 | Joback Calculated Property |
| Cp,gas | 321.69 | J/mol×K | 691.06 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Disulfide, isopentyl methyl.
Sources
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