- InChI
- InChI=1S/C13H28S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h14H,2-13H2,1H3
- InChI Key
- IPBROXKVGHZHJV-UHFFFAOYSA-N
- Formula
- C13H28S
- SMILES
- CCCCCCCCCCCCCS
- Molecular Weight1
- 216.43
- CAS
- 19484-26-5
- Other Names
-
- Tridecyl mercaptan
- tridecane-1-thiol
- 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° | 87.97 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -273.17 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 33.47 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 51.27 | kJ/mol | Joback Calculated Property |
| log10WS | -5.34 | Crippen Calculated Property | |
| logPoct/wat | 5.227 | Crippen Calculated Property | |
| McVol | 210.380 | ml/mol | McGowan Calculated Property |
| Pc | 1733.22 | kPa | Joback Calculated Property |
| Tboil | 559.70 | K | Joback Calculated Property |
| Tc | 736.52 | K | Joback Calculated Property |
| Tfus | 272.73 | K | Joback Calculated Property |
| Vc | 0.818 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [519.65; 615.19] | J/mol×K | [559.70; 736.52] | 
|
| Cp,gas | 519.65 | J/mol×K | 559.70 | Joback Calculated Property |
| Cp,gas | 537.42 | J/mol×K | 589.17 | Joback Calculated Property |
| Cp,gas | 554.42 | J/mol×K | 618.64 | Joback Calculated Property |
| Cp,gas | 570.67 | J/mol×K | 648.11 | Joback Calculated Property |
| Cp,gas | 586.20 | J/mol×K | 677.58 | Joback Calculated Property |
| Cp,gas | 601.03 | J/mol×K | 707.05 | Joback Calculated Property |
| Cp,gas | 615.19 | J/mol×K | 736.52 | Joback Calculated Property |
| ΔvapH | 64.70 | kJ/mol | 515.50 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.63] | kPa | [431.57; 590.36] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.58669e+01 | |||
| Coefficient B | -5.19783e+03 | |||
| Coefficient C | -9.79310e+01 | |||
| Temperature range, min. | 431.57 | |||
| Temperature range, max. | 590.36 | |||
| Pvap | 1.33 | kPa | 431.57 | Calculated Property |
| Pvap | 2.92 | kPa | 449.21 | Calculated Property |
| Pvap | 5.92 | kPa | 466.86 | Calculated Property |
| Pvap | 11.26 | kPa | 484.50 | Calculated Property |
| Pvap | 20.24 | kPa | 502.14 | Calculated Property |
| Pvap | 34.66 | kPa | 519.79 | Calculated Property |
| Pvap | 56.84 | kPa | 537.43 | Calculated Property |
| Pvap | 89.71 | kPa | 555.07 | Calculated Property |
| Pvap | 136.89 | kPa | 572.72 | Calculated Property |
| Pvap | 202.63 | kPa | 590.36 | Calculated Property |
Similar Compounds
Find more compounds similar to 1-Tridecanethiol.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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