- InChI
- InChI=1S/C6H14S2/c1-4-5-7-8-6(2)3/h6H,4-5H2,1-3H3
- InChI Key
- YCBVTHJPQCNICU-UHFFFAOYSA-N
- Formula
- C6H14S2
- SMILES
- CCCSSC(C)C
- Molecular Weight1
- 150.31
- CAS
- 33672-51-4
- Other Names
-
- Disulfide, isopropyl propyl
- Isopropyl propyl disulfide
- 1-(Isopropyldisulfanyl)propane
- 2-Methyl-3,4-dithiaheptane
- Propyl isopropyl disulfide
- isopropyl propyl disulphide
- 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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 | 0.3064 | Relay (... Calculated Property | |
| ΔfG° | 63.44 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -119.97 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 16.03 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 48.32 | kJ/mol | Relay (... Calculated Property |
| IE | 8.32 | eV | Relay (... Calculated Property |
| log10WS | -3.16 | Relay (... Calculated Property | |
| logPoct/wat | 3.186 | Crippen Calculated Property | |
| McVol | 128.100 | ml/mol | McGowan Calculated Property |
| Pc | 3257.86 | kPa | Joback Calculated Property |
| Inp | [1071.00; 1071.00] |
|
|
| Inp | 1071.00 | NIST | |
| Inp | 1071.00 | NIST | |
| Inp | 1071.00 | NIST | |
| I | [1358.00; 1358.00] |
|
|
| I | 1358.00 | NIST | |
| I | 1358.00 | NIST | |
| Tboil | 457.00 ± 1.70 | K | NIST |
| Tc | 651.30 | K | Relay (... Calculated Property |
| Tfus | 175.60 | K | Relay (... Calculated Property |
| Vc | 0.462 | 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 |
| ΔvapH | 45.40 | kJ/mol | 408.00 | NIST |
Similar Compounds
Find more compounds similar to Disulfide, 1-methylethyl propyl.
Sources
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