- InChI
- InChI=1S/C17H36S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18/h18H,2-17H2,1H3
- InChI Key
- FXOGYMXDUYOYKR-UHFFFAOYSA-N
- Formula
- C17H36S
- SMILES
- CCCCCCCCCCCCCCCCCS
- Molecular Weight1
- 272.53
- CAS
- 53193-22-9
- Other Names
-
- 1-Heptadecanethiol
- 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).
- 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° | 121.65 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -355.73 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 43.83 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 60.17 | kJ/mol | Joback Calculated Property |
| log10WS | -7.01 | Crippen Calculated Property | |
| logPoct/wat | 6.788 | Crippen Calculated Property | |
| McVol | 266.740 | ml/mol | McGowan Calculated Property |
| Pc | 1288.36 | kPa | Joback Calculated Property |
| Tboil | 651.22 | K | Joback Calculated Property |
| Tc | 824.05 | K | Joback Calculated Property |
| Tfus | 317.81 | K | Joback Calculated Property |
| Vc | 1.042 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [737.03; 841.84] | J/mol×K | [651.22; 824.05] | 
|
| Cp,gas | 737.03 | J/mol×K | 651.22 | Joback Calculated Property |
| Cp,gas | 756.57 | J/mol×K | 680.02 | Joback Calculated Property |
| Cp,gas | 775.25 | J/mol×K | 708.83 | Joback Calculated Property |
| Cp,gas | 793.08 | J/mol×K | 737.63 | Joback Calculated Property |
| Cp,gas | 810.10 | J/mol×K | 766.44 | Joback Calculated Property |
| Cp,gas | 826.35 | J/mol×K | 795.24 | Joback Calculated Property |
| Cp,gas | 841.84 | J/mol×K | 824.05 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.67] | kPa | [477.33; 652.26] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.57510e+01 | |||
| Coefficient B | -5.62086e+03 | |||
| Coefficient C | -1.13832e+02 | |||
| Temperature range, min. | 477.33 | |||
| Temperature range, max. | 652.26 | |||
| Pvap | 1.33 | kPa | 477.33 | Calculated Property |
| Pvap | 2.92 | kPa | 496.77 | Calculated Property |
| Pvap | 5.94 | kPa | 516.20 | Calculated Property |
| Pvap | 11.31 | kPa | 535.64 | Calculated Property |
| Pvap | 20.33 | kPa | 555.08 | Calculated Property |
| Pvap | 34.81 | kPa | 574.51 | Calculated Property |
| Pvap | 57.04 | kPa | 593.95 | Calculated Property |
| Pvap | 89.95 | kPa | 613.39 | Calculated Property |
| Pvap | 137.08 | kPa | 632.82 | Calculated Property |
| Pvap | 202.67 | kPa | 652.26 | Calculated Property |
Similar Compounds
Find more compounds similar to Heptadecyl mercaptan.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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