- InChI
- InChI=1S/C15H32S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16/h16H,2-15H2,1H3
- InChI Key
- IGMQODZGDORXEN-UHFFFAOYSA-N
- Formula
- C15H32S
- SMILES
- CCCCCCCCCCCCCCCS
- Molecular Weight1
- 244.48
- CAS
- 25276-70-4
- Other Names
-
- pentadecane-1-thiol
- ω : Acentric Factor.
- 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).
- 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).
- 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 |
|---|---|---|---|
| ω | 0.7768 | Relay (... Calculated Property | |
| ΔfG° | 104.81 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -327.83 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 38.65 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 89.68 | kJ/mol | Relay (... Calculated Property |
| IE | 9.30 | eV | Relay (... Calculated Property |
| log10WS | -6.97 | Relay (... Calculated Property | |
| logPoct/wat | 6.007 | Crippen Calculated Property | |
| McVol | 238.560 | ml/mol | McGowan Calculated Property |
| Pc | 1486.14 | kPa | Joback Calculated Property |
| Tboil | 582.70 | K | Relay (... Calculated Property |
| Tc | 751.44 | K | Relay (... Calculated Property |
| Tfus | 302.79 | K | Relay (... Calculated Property |
| Vc | 0.942 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [625.52; 726.22] | J/mol×K | [605.46; 779.70] | 
|
| Cp,gas | 625.52 | J/mol×K | 605.46 | Joback Calculated Property |
| Cp,gas | 644.27 | J/mol×K | 634.50 | Joback Calculated Property |
| Cp,gas | 662.19 | J/mol×K | 663.54 | Joback Calculated Property |
| Cp,gas | 679.33 | J/mol×K | 692.58 | Joback Calculated Property |
| Cp,gas | 695.69 | J/mol×K | 721.62 | Joback Calculated Property |
| Cp,gas | 711.31 | J/mol×K | 750.66 | Joback Calculated Property |
| Cp,gas | 726.22 | J/mol×K | 779.70 | Joback Calculated Property |
| ΔvapH | 69.80 | kJ/mol | 544.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.67] | kPa | [455.49; 622.52] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.58161e+01 | |||
| Coefficient B | -5.42327e+03 | |||
| Coefficient C | -1.06243e+02 | |||
| Temperature range, min. | 455.49 | |||
| Temperature range, max. | 622.52 | |||
| Pvap | 1.33 | kPa | 455.49 | Calculated Property |
| Pvap | 2.92 | kPa | 474.05 | Calculated Property |
| Pvap | 5.93 | kPa | 492.61 | Calculated Property |
| Pvap | 11.28 | kPa | 511.17 | Calculated Property |
| Pvap | 20.28 | kPa | 529.73 | Calculated Property |
| Pvap | 34.72 | kPa | 548.28 | Calculated Property |
| Pvap | 56.93 | kPa | 566.84 | Calculated Property |
| Pvap | 89.82 | kPa | 585.40 | Calculated Property |
| Pvap | 136.99 | kPa | 603.96 | Calculated Property |
| Pvap | 202.67 | kPa | 622.52 | Calculated Property |
Similar Compounds
Find more compounds similar to 1-Pentadecanethiol.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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