- InChI
- InChI=1S/C5H12S2/c6-4-2-1-3-5-7/h6-7H,1-5H2
- InChI Key
- KMTUBAIXCBHPIZ-UHFFFAOYSA-N
- Formula
- C5H12S2
- SMILES
- SCCCCCS
- Molecular Weight1
- 136.28
- CAS
- 928-98-3
- Other Names
-
- 1,5-Dimercaptopentane
- pentane-1,5-dithiol
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfH°liquid : Liquid phase 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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 |
|---|---|---|---|
| ΔcH°liquid | -4757.10 ± 1.20 | kJ/mol | NIST |
| ΔfH°gas | -71.00 ± 1.50 | kJ/mol | NIST |
| ΔfH°liquid | -130.30 ± 1.30 | kJ/mol | NIST |
| ΔfusH° | 16.79 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [59.29; 59.30] | kJ/mol |
|
| ΔvapH° | 59.29 | kJ/mol | NIST |
| ΔvapH° | 59.29 ± 0.42 | kJ/mol | NIST |
| ΔvapH° | 59.30 | kJ/mol | NIST |
| ΔvapH° | 59.30 | kJ/mol | NIST |
| IE | 8.84 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.61 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.016 | Crippen Calculated Property | |
| McVol | 114.010 | ml/mol | McGowan Calculated Property |
| Pc | 4056.96 | kPa | Joback Calculated Property |
| Inp | [1147.00; 1167.00] |
|
|
| Inp | 1167.00 | NIST | |
| Inp | 1147.00 | NIST | |
| Inp | 1152.00 | NIST | |
| Inp | 1167.00 | NIST | |
| Inp | 1167.00 | NIST | |
| I | [1672.00; 1672.00] |
|
|
| I | 1672.00 | NIST | |
| I | 1672.00 | NIST | |
| Tboil | 479.88 | K | Relay (1.0) Calculated Property |
| Tc | 716.46 | K | Relay (1.0) Calculated Property |
| Tfus | 249.00 | K | Relay (1.0) Calculated Property |
| Vc | 0.401 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Standard Gibbs free energy of formation, Acentric Factor 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.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | 51.60 | kJ/mol | 427.00 | NIST |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 380.70 | K | 2.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [153.12; 328.02] | 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 | 2.81250e+01 | |||
| Coefficient B | 5.33400e-01 | |||
| Coefficient C | -2.93000e-04 | |||
| Coefficient D | 5.95000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 153.12 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 182.79 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 209.47 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 233.34 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 254.58 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 273.38 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 289.94 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 304.45 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 317.08 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 328.02 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.63] | kPa | [362.54; 525.39] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.52519e+01 | |||
| Coefficient B | -4.82198e+03 | |||
| Coefficient C | -4.03040e+01 | |||
| Temperature range, min. | 362.54 | |||
| Temperature range, max. | 525.39 | |||
| Pvap | 1.33 | kPa | 362.54 | Calculated Property |
| Pvap | 2.95 | kPa | 380.63 | Calculated Property |
| Pvap | 6.04 | kPa | 398.73 | Calculated Property |
| Pvap | 11.53 | kPa | 416.82 | Calculated Property |
| Pvap | 20.75 | kPa | 434.92 | Calculated Property |
| Pvap | 35.45 | kPa | 453.01 | Calculated Property |
| Pvap | 57.91 | kPa | 471.11 | Calculated Property |
| Pvap | 90.92 | kPa | 489.20 | Calculated Property |
| Pvap | 137.86 | kPa | 507.30 | Calculated Property |
| Pvap | 202.63 | kPa | 525.39 | Calculated Property |
Similar Compounds
Find more compounds similar to 1,5-Pentanedithiol.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more.
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