- InChI
- InChI=1S/C8H18S2/c1-3-5-7-10-8-9-6-4-2/h3-8H2,1-2H3
- InChI Key
- XBEPTFGPMPEFGG-UHFFFAOYSA-N
- Formula
- C8H18S2
- SMILES
- CCCCSCSCCC
- Molecular Weight1
- 178.36
- CAS
- 57422-58-9
- 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° | 82.72 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -124.71 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 24.74 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 47.04 | kJ/mol | Joback Calculated Property |
| log10WS | -3.43 | Crippen Calculated Property | |
| logPoct/wat | 3.620 | Crippen Calculated Property | |
| McVol | 156.280 | ml/mol | McGowan Calculated Property |
| Pc | 2624.46 | kPa | Joback Calculated Property |
| Inp | 1233.00 | NIST | |
| Tboil | 520.00 | K | Joback Calculated Property |
| Tc | 726.00 | K | Joback Calculated Property |
| Tfus | 248.72 | K | Joback Calculated Property |
| Vc | 0.592 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [340.73; 417.78] | J/mol×K | [520.00; 726.00] | 
|
| Cp,gas | 340.73 | J/mol×K | 520.00 | Joback Calculated Property |
| Cp,gas | 355.21 | J/mol×K | 554.33 | Joback Calculated Property |
| Cp,gas | 369.03 | J/mol×K | 588.67 | Joback Calculated Property |
| Cp,gas | 382.19 | J/mol×K | 623.00 | Joback Calculated Property |
| Cp,gas | 394.70 | J/mol×K | 657.33 | Joback Calculated Property |
| Cp,gas | 406.56 | J/mol×K | 691.67 | Joback Calculated Property |
| Cp,gas | 417.78 | J/mol×K | 726.00 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [372.52; 511.55] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.58951e+01 | |||
| Coefficient B | -4.57121e+03 | |||
| Coefficient C | -7.96360e+01 | |||
| Temperature range, min. | 372.52 | |||
| Temperature range, max. | 511.55 | |||
| Pvap | 1.33 | kPa | 372.52 | Calculated Property |
| Pvap | 2.91 | kPa | 387.97 | Calculated Property |
| Pvap | 5.91 | kPa | 403.42 | Calculated Property |
| Pvap | 11.24 | kPa | 418.86 | Calculated Property |
| Pvap | 20.22 | kPa | 434.31 | Calculated Property |
| Pvap | 34.63 | kPa | 449.76 | Calculated Property |
| Pvap | 56.80 | kPa | 465.21 | Calculated Property |
| Pvap | 89.67 | kPa | 480.65 | Calculated Property |
| Pvap | 136.86 | kPa | 496.10 | Calculated Property |
| Pvap | 202.66 | kPa | 511.55 | Calculated Property |
Similar Compounds
Find more compounds similar to 4,6-dithianonane.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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