- InChI
- InChI=1S/C11H24S2/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3-11H2,1-2H3
- InChI Key
- BBRSAOQUYAEPBG-UHFFFAOYSA-N
- Formula
- C11H24S2
- SMILES
- CCCCCCSSCCCCC
- Molecular Weight1
- 220.44
- CAS
- 93305-73-8
- Other Names
-
- Pentyl hexyl 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).
- 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 | 0.5619 | Relay (1.0) Calculated Property | |
| ΔfG° | 107.98 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -222.30 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 32.51 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 75.71 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.28 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.67 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.138 | Crippen Calculated Property | |
| McVol | 198.550 | ml/mol | McGowan Calculated Property |
| Pc | 1992.98 | kPa | Joback Calculated Property |
| I | [1836.00; 1836.00] |
|
|
| I | 1836.00 | NIST | |
| I | 1836.00 | NIST | |
| Tboil | 551.89 | K | Relay (1.0) Calculated Property |
| Tc | 735.00 | K | Relay (1.0) Calculated Property |
| Tfus | 242.32 | K | Relay (1.0) Calculated Property |
| Vc | 0.752 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [484.79; 573.63] | J/mol×K | [588.64; 785.90] |
|
| Cp,gas | 484.79 | J/mol×K | 588.64 | Joback Calculated Property |
| Cp,gas | 501.57 | J/mol×K | 621.52 | Joback Calculated Property |
| Cp,gas | 517.54 | J/mol×K | 654.39 | Joback Calculated Property |
| Cp,gas | 532.72 | J/mol×K | 687.27 | Joback Calculated Property |
| Cp,gas | 547.12 | J/mol×K | 720.15 | Joback Calculated Property |
| Cp,gas | 560.75 | J/mol×K | 753.03 | Joback Calculated Property |
| Cp,gas | 573.63 | J/mol×K | 785.90 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to n-Pentyl n-hexyl disulfide.
Sources
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