- InChI
- InChI=1S/C20H42S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21/h21H,2-20H2,1H3
- InChI Key
- YYHYWOPDNMFEAV-UHFFFAOYSA-N
- Formula
- C20H42S
- SMILES
- CCCCCCCCCCCCCCCCCCCCS
- Molecular Weight1
- 314.61
- CAS
- 13373-97-2
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,liquid : Liquid phase 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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).
- 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° | 146.91 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -417.65 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 51.60 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 66.85 | kJ/mol | Joback Calculated Property |
| log10WS | -8.27 | Crippen Calculated Property | |
| logPoct/wat | 7.958 | Crippen Calculated Property | |
| McVol | 309.010 | ml/mol | McGowan Calculated Property |
| Pc | 1058.26 | kPa | Joback Calculated Property |
| Tboil | 719.86 | K | Joback Calculated Property |
| Tc | 893.65 | K | Joback Calculated Property |
| Tfus | 311.15 ± 1.00 | K | NIST |
| Vc | 1.210 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [913.35; 1023.43] | J/mol×K | [719.86; 893.65] | 
|
| Cp,gas | 913.35 | J/mol×K | 719.86 | Joback Calculated Property |
| Cp,gas | 933.95 | J/mol×K | 748.83 | Joback Calculated Property |
| Cp,gas | 953.61 | J/mol×K | 777.79 | Joback Calculated Property |
| Cp,gas | 972.35 | J/mol×K | 806.76 | Joback Calculated Property |
| Cp,gas | 990.21 | J/mol×K | 835.72 | Joback Calculated Property |
| Cp,gas | 1007.23 | J/mol×K | 864.69 | Joback Calculated Property |
| Cp,gas | 1023.43 | J/mol×K | 893.65 | Joback Calculated Property |
| Cp,liquid | 725.84 | J/mol×K | 300.00 | NIST |
| ΔvapH | 81.30 | kJ/mol | 603.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [505.33; 693.77] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.54895e+01 | |||
| Coefficient B | -5.80358e+03 | |||
| Coefficient C | -1.23562e+02 | |||
| Temperature range, min. | 505.33 | |||
| Temperature range, max. | 693.77 | |||
| Pvap | 1.33 | kPa | 505.33 | Calculated Property |
| Pvap | 2.94 | kPa | 526.27 | Calculated Property |
| Pvap | 5.99 | kPa | 547.21 | Calculated Property |
| Pvap | 11.42 | kPa | 568.14 | Calculated Property |
| Pvap | 20.55 | kPa | 589.08 | Calculated Property |
| Pvap | 35.14 | kPa | 610.02 | Calculated Property |
| Pvap | 57.49 | kPa | 630.96 | Calculated Property |
| Pvap | 90.45 | kPa | 651.89 | Calculated Property |
| Pvap | 137.49 | kPa | 672.83 | Calculated Property |
| Pvap | 202.66 | kPa | 693.77 | Calculated Property |
Similar Compounds
Find more compounds similar to 1-Eicosanethiol.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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