- InChI
- InChI=1S/C7H16S2/c1-3-5-6-9-7-8-4-2/h3-7H2,1-2H3
- InChI Key
- OXKJXXJWXSXRDM-UHFFFAOYSA-N
- Formula
- C7H16S2
- SMILES
- CCCCSCSCC
- Molecular Weight1
- 164.33
- CAS
- ---
- 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).
- Pvap : Vapor pressure (kPa).
- Inp : Non-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° | 74.30 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -104.07 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 22.15 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 44.81 | kJ/mol | Joback Calculated Property |
| log10WS | -3.02 | Crippen Calculated Property | |
| logPoct/wat | 3.230 | Crippen Calculated Property | |
| McVol | 142.190 | ml/mol | McGowan Calculated Property |
| Pc | 2902.98 | kPa | Joback Calculated Property |
| Inp | [1239.00; 1239.00] |
|
|
| Inp | 1239.00 | NIST | |
| Inp | 1239.00 | NIST | |
| Tboil | 497.12 | K | Joback Calculated Property |
| Tc | 706.23 | K | Joback Calculated Property |
| Tfus | 237.45 | K | Joback Calculated Property |
| Vc | 0.535 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [296.36; 368.15] | J/mol×K | [497.12; 706.23] |
|
| Cp,gas | 296.36 | J/mol×K | 497.12 | Joback Calculated Property |
| Cp,gas | 309.83 | J/mol×K | 531.97 | Joback Calculated Property |
| Cp,gas | 322.69 | J/mol×K | 566.82 | Joback Calculated Property |
| Cp,gas | 334.95 | J/mol×K | 601.67 | Joback Calculated Property |
| Cp,gas | 346.61 | J/mol×K | 636.52 | Joback Calculated Property |
| Cp,gas | 357.67 | J/mol×K | 671.38 | Joback Calculated Property |
| Cp,gas | 368.15 | J/mol×K | 706.23 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [374.12; 511.01] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.60986e+01 | |||
| Coefficient B | -4.64732e+03 | |||
| Coefficient C | -8.01920e+01 | |||
| Temperature range, min. | 374.12 | |||
| Temperature range, max. | 511.01 | |||
| Pvap | 1.33 | kPa | 374.12 | Calculated Property |
| Pvap | 2.90 | kPa | 389.33 | Calculated Property |
| Pvap | 5.87 | kPa | 404.54 | Calculated Property |
| Pvap | 11.16 | kPa | 419.75 | Calculated Property |
| Pvap | 20.07 | kPa | 434.96 | Calculated Property |
| Pvap | 34.38 | kPa | 450.17 | Calculated Property |
| Pvap | 56.46 | kPa | 465.38 | Calculated Property |
| Pvap | 89.29 | kPa | 480.59 | Calculated Property |
| Pvap | 136.55 | kPa | 495.80 | Calculated Property |
| Pvap | 202.64 | kPa | 511.01 | Calculated Property |
Similar Compounds
Find more compounds similar to 3,5-dithianonane.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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