- InChI
- InChI=1S/C5H12S2/c1-3-4-7-5-6-2/h3-5H2,1-2H3
- InChI Key
- UURPBBKQQQDCEW-UHFFFAOYSA-N
- Formula
- C5H12S2
- SMILES
- CCCSCSC
- Molecular Weight1
- 136.28
- 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° | 57.46 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -62.79 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 16.97 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 40.36 | kJ/mol | Joback Calculated Property |
| log10WS | -2.18 | Crippen Calculated Property | |
| logPoct/wat | 2.450 | Crippen Calculated Property | |
| McVol | 114.010 | ml/mol | McGowan Calculated Property |
| Pc | 3611.55 | kPa | Joback Calculated Property |
| Inp | [1073.00; 1073.00] |
|
|
| Inp | 1073.00 | NIST | |
| Inp | 1073.00 | NIST | |
| Tboil | 451.36 | K | Joback Calculated Property |
| Tc | 666.63 | K | Joback Calculated Property |
| Tfus | 214.91 | K | Joback Calculated Property |
| Vc | 0.423 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [213.79; 272.66] | J/mol×K | [451.36; 666.63] |
|
| Cp,gas | 213.79 | J/mol×K | 451.36 | Joback Calculated Property |
| Cp,gas | 224.75 | J/mol×K | 487.24 | Joback Calculated Property |
| Cp,gas | 235.26 | J/mol×K | 523.12 | Joback Calculated Property |
| Cp,gas | 245.30 | J/mol×K | 558.99 | Joback Calculated Property |
| Cp,gas | 254.88 | J/mol×K | 594.87 | Joback Calculated Property |
| Cp,gas | 264.00 | J/mol×K | 630.75 | Joback Calculated Property |
| Cp,gas | 272.66 | J/mol×K | 666.63 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [342.58; 467.36] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.63168e+01 | |||
| Coefficient B | -4.38154e+03 | |||
| Coefficient C | -6.92310e+01 | |||
| Temperature range, min. | 342.58 | |||
| Temperature range, max. | 467.36 | |||
| Pvap | 1.33 | kPa | 342.58 | Calculated Property |
| Pvap | 2.89 | kPa | 356.44 | Calculated Property |
| Pvap | 5.84 | kPa | 370.31 | Calculated Property |
| Pvap | 11.07 | kPa | 384.17 | Calculated Property |
| Pvap | 19.91 | kPa | 398.04 | Calculated Property |
| Pvap | 34.14 | kPa | 411.90 | Calculated Property |
| Pvap | 56.12 | kPa | 425.77 | Calculated Property |
| Pvap | 88.90 | kPa | 439.63 | Calculated Property |
| Pvap | 136.23 | kPa | 453.50 | Calculated Property |
| Pvap | 202.64 | kPa | 467.36 | Calculated Property |
Similar Compounds
Find more compounds similar to 2,4-dithiaheptane.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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