- InChI
- InChI=1S/C20H36S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-20-18-16-19-21-20/h16,18-19H,2-15,17H2,1H3
- InChI Key
- PJBTZAOJLKQEES-UHFFFAOYSA-N
- Formula
- C20H36S
- SMILES
- CCCCCCCCCCCCCCCCc1cccs1
- Molecular Weight1
- 308.56
- CAS
- ---
- Other Names
-
- 2-Hexadecylthiophene
- ω : Acentric Factor.
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (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).
- Inp : Non-polar retention indices.
- 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 | 0.8514 | Relay (1.0) Calculated Property | |
| ΔfG° | 217.31 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -243.78 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 103.13 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.87 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.97 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.772 | Crippen Calculated Property | |
| McVol | 289.550 | ml/mol | McGowan Calculated Property |
| Pc | 1261.87 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2289.00; 2328.00] |
|
|
| Inp | 2289.00 | NIST | |
| Inp | 2289.00 | NIST | |
| Inp | 2328.00 | NIST | |
| Tboil | 613.46 | K | Relay (1.0) Calculated Property |
| Tc | 798.85 | K | Relay (1.0) Calculated Property |
| Tfus | 305.60 | K | Relay (1.0) Calculated Property |
| Vc | 1.132 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [484.56; 687.51] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.43800e+01 | |||
| Coefficient B | -5.16259e+03 | |||
| Coefficient C | -1.18222e+02 | |||
| Temperature range, min. | 484.56 | |||
| Temperature range, max. | 687.51 | |||
| Pvap | 1.33 | kPa | 484.56 | Calculated Property |
| Pvap | 3.02 | kPa | 507.11 | Calculated Property |
| Pvap | 6.25 | kPa | 529.66 | Calculated Property |
| Pvap | 11.99 | kPa | 552.21 | Calculated Property |
| Pvap | 21.58 | kPa | 574.76 | Calculated Property |
| Pvap | 36.75 | kPa | 597.31 | Calculated Property |
| Pvap | 59.65 | kPa | 619.86 | Calculated Property |
| Pvap | 92.88 | kPa | 642.41 | Calculated Property |
| Pvap | 139.42 | kPa | 664.96 | Calculated Property |
| Pvap | 202.66 | kPa | 687.51 | Calculated Property |
Similar Compounds
Find more compounds similar to 2-n-Hexadecylthiophene.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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