- InChI
- InChI=1S/C9H20S2/c1-3-5-6-7-9-11-10-8-4-2/h3-9H2,1-2H3
- InChI Key
- CKMPJNIZKDJPKH-UHFFFAOYSA-N
- Formula
- C9H20S2
- SMILES
- CCCCCCSSCCC
- Molecular Weight1
- 192.38
- CAS
- 64580-54-7
- Other Names
-
- Propyl 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).
- Ip : 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 | 0.4783 | Relay (1.0) Calculated Property | |
| ΔfG° | 91.14 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -174.94 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 27.33 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 67.58 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.32 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.85 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.358 | Crippen Calculated Property | |
| McVol | 170.370 | ml/mol | McGowan Calculated Property |
| Pc | 2384.19 | kPa | Joback Calculated Property |
| Ip | [1666.00; 1666.00] |
|
|
| Ip | 1666.00 | NIST | |
| Ip | 1666.00 | NIST | |
| Tboil | 520.14 | K | Relay (1.0) Calculated Property |
| Tc | 714.06 | K | Relay (1.0) Calculated Property |
| Tfus | 222.97 | K | Relay (1.0) Calculated Property |
| Vc | 0.643 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [237.41; 536.83] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 3.39070e+01 | |||
| Coefficient B | 8.47620e-01 | |||
| Coefficient C | -3.85400e-04 | |||
| Coefficient D | 4.07000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 237.41 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 287.34 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 332.81 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 373.93 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 410.85 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 443.69 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 472.58 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 497.65 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 519.02 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 536.83 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to n-Propyl n-hexyl disulfide.
Sources
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