- 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
- 164.34
- CAS
- ---
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- 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).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -106.81 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 22.15 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 59.58 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.35 | eV | Relay (1.0) 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 | 494.13 | K | Relay (1.0) Calculated Property |
| Tc | 692.28 | K | Relay (1.0) Calculated Property |
| Tfus | 214.98 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [194.98; 433.64] | 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 | 3.57250e+01 | |||
| Coefficient B | 6.57620e-01 | |||
| Coefficient C | -2.76600e-04 | |||
| Coefficient D | 1.69000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 194.98 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 234.51 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 270.65 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 303.48 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 333.03 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 359.37 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 382.55 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 402.62 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 419.63 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 433.64 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [374.12; 511.01] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| 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
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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