- InChI
- InChI=1S/C5H12S2/c1-6-4-3-5-7-2/h3-5H2,1-2H3
- InChI Key
- JIZDZCFZPMIBPK-UHFFFAOYSA-N
- Formula
- C5H12S2
- SMILES
- CSCCCSC
- Molecular Weight1
- 136.28
- CAS
- 24949-35-7
- Other Names
-
- 1,3-Bis(methylsulfanyl)propane
- 1,3-Bis(methylthio)propane
- 2,6-Dithiaheptane
- 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.
- I : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (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 | -1.68 | Crippen Calculated Property | |
| logPoct/wat | 2.103 | Crippen Calculated Property | |
| McVol | 114.010 | ml/mol | McGowan Calculated Property |
| Pc | 3611.55 | kPa | Joback Calculated Property |
| Inp | [1128.00; 1128.00] |
|
|
| Inp | 1128.00 | NIST | |
| Inp | 1128.00 | NIST | |
| I | 1554.00 | 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 |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 365.00 | K | 2.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.67] | kPa | [330.00; 471.72] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.47108e+01 | |||
| Coefficient B | -3.82417e+03 | |||
| Coefficient C | -6.48600e+01 | |||
| Temperature range, min. | 330.00 | |||
| Temperature range, max. | 471.72 | |||
| Pvap | 1.33 | kPa | 330.00 | Calculated Property |
| Pvap | 2.99 | kPa | 345.75 | Calculated Property |
| Pvap | 6.17 | kPa | 361.49 | Calculated Property |
| Pvap | 11.81 | kPa | 377.24 | Calculated Property |
| Pvap | 21.25 | kPa | 392.99 | Calculated Property |
| Pvap | 36.23 | kPa | 408.73 | Calculated Property |
| Pvap | 58.96 | kPa | 424.48 | Calculated Property |
| Pvap | 92.11 | kPa | 440.23 | Calculated Property |
| Pvap | 138.82 | kPa | 455.97 | Calculated Property |
| Pvap | 202.67 | kPa | 471.72 | Calculated Property |
Similar Compounds
Find more compounds similar to Propane, 1,3-bis(methylthio)-.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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