- InChI
- InChI=1S/C14H18O/c1-2-3-4-5-9-12-14(15)13-10-7-6-8-11-13/h6-8,10-11,14-15H,2-5H2,1H3
- InChI Key
- GCCHIQSENJTUHA-UHFFFAOYSA-N
- Formula
- C14H18O
- SMILES
- CCCCCC#CC(O)c1ccccc1
- Molecular Weight1
- 202.29
- CAS
- 62059-58-9
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfH°liquid : Liquid phase 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).
- IE : Ionization energy (eV).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Tboil : Normal Boiling Point Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔcH°liquid | -7964.20 | kJ/mol | NIST |
| ΔfH°gas | 31.80 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfH°liquid | [-117.40; 177.00] | kJ/mol |
|
| ΔfH°liquid | -117.40 ± 7.00 | kJ/mol | NIST |
| ΔfH°liquid | 177.00 | kJ/mol | NIST |
| ΔfusH° | 29.74 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 90.12 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.23 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 3.304 | Crippen Calculated Property | |
| McVol | 181.630 | ml/mol | McGowan Calculated Property |
| Tboil | 525.34 | K | Relay (1.0) Calculated Property |
| Tfus | 320.10 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [466.82; 542.58] | J/mol×K | [647.34; 854.28] |
|
| Cp,gas | 466.82 | J/mol×K | 647.34 | Joback Calculated Property |
| Cp,gas | 481.47 | J/mol×K | 681.83 | Joback Calculated Property |
| Cp,gas | 495.26 | J/mol×K | 716.32 | Joback Calculated Property |
| Cp,gas | 508.22 | J/mol×K | 750.81 | Joback Calculated Property |
| Cp,gas | 520.40 | J/mol×K | 785.30 | Joback Calculated Property |
| Cp,gas | 531.84 | J/mol×K | 819.79 | Joback Calculated Property |
| Cp,gas | 542.58 | J/mol×K | 854.28 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1-Phenyloct-2-yn-1-ol.
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
- Joback Method
- McGowan Method
- NIST Webbook
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more.
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