- InChI
- InChI=1S/C14H30S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h15H,2-14H2,1H3
- InChI Key
- GEKDEMKPCKTKEC-UHFFFAOYSA-N
- Formula
- C14H30S
- SMILES
- CCCCCCCCCCCCCCS
- Molecular Weight1
- 230.46
- CAS
- 2079-95-0
- Other Names
-
- 1-Mercaptotetradecane
- Myristyl mercaptan
- Tetradecanethiol-(1)
- Tetradecyl mercaptan
- n-Tetradecyl mercaptan
- tetradecane-1-thiol
- ω : Acentric Factor.
- 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).
- 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 | 0.7416 | Relay (1.0) Calculated Property | |
| ΔfG° | 96.39 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -306.78 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 36.06 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 86.76 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.27 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.70 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.617 | Crippen Calculated Property | |
| McVol | 224.470 | ml/mol | McGowan Calculated Property |
| Pc | 1602.56 | kPa | Joback Calculated Property |
| Tboil | 570.37 | K | Relay (1.0) Calculated Property |
| Tc | 741.42 | K | Relay (1.0) Calculated Property |
| Tfus | 280.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Vc | 0.885 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,liquid | 501.57 | J/mol×K | 300.00 | NIST |
| ΔvapH | 67.30 | kJ/mol | 530.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [323.26; 766.97] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 5.05300e+00 | |||
| Coefficient B | 1.36112e+00 | |||
| Coefficient C | -7.60200e-04 | |||
| Coefficient D | 1.61000e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 323.26 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 398.57 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 466.19 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 526.63 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 580.40 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 628.00 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 669.95 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 706.76 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 738.93 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 766.97 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [443.89; 606.75] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.58515e+01 | |||
| Coefficient B | -5.31782e+03 | |||
| Coefficient C | -1.02212e+02 | |||
| Temperature range, min. | 443.89 | |||
| Temperature range, max. | 606.75 | |||
| Pvap | 1.33 | kPa | 443.89 | Calculated Property |
| Pvap | 2.92 | kPa | 461.99 | Calculated Property |
| Pvap | 5.92 | kPa | 480.08 | Calculated Property |
| Pvap | 11.26 | kPa | 498.18 | Calculated Property |
| Pvap | 20.26 | kPa | 516.27 | Calculated Property |
| Pvap | 34.68 | kPa | 534.37 | Calculated Property |
| Pvap | 56.87 | kPa | 552.46 | Calculated Property |
| Pvap | 89.75 | kPa | 570.56 | Calculated Property |
| Pvap | 136.93 | kPa | 588.65 | Calculated Property |
| Pvap | 202.66 | kPa | 606.75 | Calculated Property |
Similar Compounds
Find more compounds similar to 1-Tetradecanethiol.
Sources
- Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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