- InChI
- InChI=1S/C3H8S2/c1-4-3-5-2/h3H2,1-2H3
- InChI Key
- LOCDPORVFVOGCR-UHFFFAOYSA-N
- Formula
- C3H8S2
- SMILES
- CSCSC
- Molecular Weight1
- 108.23
- CAS
- 1618-26-4
- Other Names
-
- 2,4-Dithiopentane
- Bis(methylmercapto)methane
- Bis(methylsulfanyl)methane
- Bis(methylthio)methane
- CH3SCH2SCH3
- Formaldehyde dimethyl mercaptal
- Methane, bis(methylthio)-
- Methylenebis(methyl sulfide)
- NSC 96010
- Thioformaldehyde dimethyl acetal
- Thioformaldehyde dimethylthioacetal
- bis(methylthio)methan
- 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).
- IE : Ionization energy (eV).
- 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° | 40.62 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -21.51 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 11.79 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 35.91 | kJ/mol | Joback Calculated Property |
| IE | [8.65; 8.67] | eV |
|
| IE | 8.67 | eV | NIST |
| IE | 8.65 | eV | NIST |
| log10WS | -1.34 | Crippen Calculated Property | |
| logPoct/wat | 1.670 | Crippen Calculated Property | |
| McVol | 85.830 | ml/mol | McGowan Calculated Property |
| Pc | 4615.13 | kPa | Joback Calculated Property |
| Inp | [862.00; 904.00] |
|
|
| Inp | 903.00 | NIST | |
| Inp | 892.00 | NIST | |
| Inp | 880.00 | NIST | |
| Inp | 885.00 | NIST | |
| Inp | 889.00 | NIST | |
| Inp | 871.00 | NIST | |
| Inp | 894.00 | NIST | |
| Inp | Outlier 862.00 | NIST | |
| Inp | 881.00 | NIST | |
| Inp | 889.00 | NIST | |
| Inp | 873.00 | NIST | |
| Inp | 904.00 | NIST | |
| Inp | 892.00 | NIST | |
| Inp | 894.00 | NIST | |
| Inp | 892.00 | NIST | |
| I | [1256.00; 1305.00] |
|
|
| I | 1290.00 | NIST | |
| I | 1272.00 | NIST | |
| I | 1285.00 | NIST | |
| I | 1282.00 | NIST | |
| I | 1300.00 | NIST | |
| I | 1260.00 | NIST | |
| I | 1289.00 | NIST | |
| I | 1305.00 | NIST | |
| I | 1274.00 | NIST | |
| I | 1256.00 | NIST | |
| I | 1256.00 | NIST | |
| I | 1305.00 | NIST | |
| Tboil | [415.50; 421.20] | K |
|
| Tboil | 421.20 | K | NIST |
| Tboil | 415.50 ± 0.50 | K | NIST |
| Tc | 626.51 | K | Joback Calculated Property |
| Tfus | 192.37 | K | Joback Calculated Property |
| Vc | 0.311 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [140.21; 182.59] | J/mol×K | [405.60; 626.51] |
|
| Cp,gas | 140.21 | J/mol×K | 405.60 | Joback Calculated Property |
| Cp,gas | 147.98 | J/mol×K | 442.42 | Joback Calculated Property |
| Cp,gas | 155.48 | J/mol×K | 479.24 | Joback Calculated Property |
| Cp,gas | 162.70 | J/mol×K | 516.06 | Joback Calculated Property |
| Cp,gas | 169.63 | J/mol×K | 552.88 | Joback Calculated Property |
| Cp,gas | 176.26 | J/mol×K | 589.70 | Joback Calculated Property |
| Cp,gas | 182.59 | J/mol×K | 626.51 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 314.00 | K | 1.53 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [309.20; 449.12] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.43224e+01 | |||
| Coefficient B | -3.52228e+03 | |||
| Coefficient C | -5.82300e+01 | |||
| Temperature range, min. | 309.20 | |||
| Temperature range, max. | 449.12 | |||
| Pvap | 1.33 | kPa | 309.20 | Calculated Property |
| Pvap | 3.02 | kPa | 324.75 | Calculated Property |
| Pvap | 6.26 | kPa | 340.29 | Calculated Property |
| Pvap | 12.03 | kPa | 355.84 | Calculated Property |
| Pvap | 21.64 | kPa | 371.39 | Calculated Property |
| Pvap | 36.84 | kPa | 386.93 | Calculated Property |
| Pvap | 59.78 | kPa | 402.48 | Calculated Property |
| Pvap | 93.01 | kPa | 418.03 | Calculated Property |
| Pvap | 139.52 | kPa | 433.57 | Calculated Property |
| Pvap | 202.64 | kPa | 449.12 | Calculated Property |
Similar Compounds
Find more compounds similar to 2,4-Dithiapentane.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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that the value is more than 2 standard deviations away from the
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