- InChI
- InChI=1S/C19H40S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20/h20H,2-19H2,1H3
- InChI Key
- YNESSCJHABBEIO-UHFFFAOYSA-N
- Formula
- C19H40S
- SMILES
- CCCCCCCCCCCCCCCCCCCS
- Molecular Weight1
- 300.59
- CAS
- 53193-23-0
- 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).
- 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° | 138.49 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -397.01 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 49.01 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.62 | kJ/mol | Joback Calculated Property |
| log10WS | -7.85 | Crippen Calculated Property | |
| logPoct/wat | 7.568 | Crippen Calculated Property | |
| McVol | 294.920 | ml/mol | McGowan Calculated Property |
| Pc | 1127.59 | kPa | Joback Calculated Property |
| Tboil | 696.98 | K | Joback Calculated Property |
| Tc | 869.97 | K | Joback Calculated Property |
| Tfus | 340.35 | K | Joback Calculated Property |
| Vc | 1.153 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [853.48; 961.84] | J/mol×K | [696.98; 869.97] | 
|
| Cp,gas | 853.48 | J/mol×K | 696.98 | Joback Calculated Property |
| Cp,gas | 873.73 | J/mol×K | 725.81 | Joback Calculated Property |
| Cp,gas | 893.06 | J/mol×K | 754.64 | Joback Calculated Property |
| Cp,gas | 911.51 | J/mol×K | 783.47 | Joback Calculated Property |
| Cp,gas | 929.10 | J/mol×K | 812.31 | Joback Calculated Property |
| Cp,gas | 945.87 | J/mol×K | 841.14 | Joback Calculated Property |
| Cp,gas | 961.84 | J/mol×K | 869.97 | Joback Calculated Property |
| ΔvapH | 79.20 | kJ/mol | 592.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [496.53; 680.31] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.55906e+01 | |||
| Coefficient B | -5.75429e+03 | |||
| Coefficient C | -1.20504e+02 | |||
| Temperature range, min. | 496.53 | |||
| Temperature range, max. | 680.31 | |||
| Pvap | 1.33 | kPa | 496.53 | Calculated Property |
| Pvap | 2.93 | kPa | 516.95 | Calculated Property |
| Pvap | 5.97 | kPa | 537.37 | Calculated Property |
| Pvap | 11.38 | kPa | 557.79 | Calculated Property |
| Pvap | 20.46 | kPa | 578.21 | Calculated Property |
| Pvap | 35.01 | kPa | 598.63 | Calculated Property |
| Pvap | 57.31 | kPa | 619.05 | Calculated Property |
| Pvap | 90.25 | kPa | 639.47 | Calculated Property |
| Pvap | 137.33 | kPa | 659.89 | Calculated Property |
| Pvap | 202.66 | kPa | 680.31 | Calculated Property |
Similar Compounds
Find more compounds similar to 1-Nonadecanethiol.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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