- InChI
- InChI=1S/C13H14O/c14-13(9-4-5-10-13)11-8-12-6-2-1-3-7-12/h1-3,6-7,14H,4-5,9-10H2
- InChI Key
- ZDUXLFHBOAAXED-UHFFFAOYSA-N
- Formula
- C13H14O
- SMILES
- OC1(C#Cc2ccccc2)CCCC1
- Molecular Weight1
- 186.25
- CAS
- 25118-60-9
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion 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.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | 107.30 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 18.31 | kJ/mol | Joback Calculated Property |
| IE | 8.36 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 2.343 | Crippen Calculated Property | |
| McVol | 156.680 | ml/mol | McGowan Calculated Property |
| Tboil | 556.64 | K | Relay (1.0) Calculated Property |
| Tfus | 330.41 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of vaporization at standard conditions, 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 | [401.12; 483.42] | J/mol×K | [640.42; 884.75] | 
|
| Cp,gas | 401.12 | J/mol×K | 640.42 | Joback Calculated Property |
| Cp,gas | 416.66 | J/mol×K | 681.14 | Joback Calculated Property |
| Cp,gas | 431.21 | J/mol×K | 721.86 | Joback Calculated Property |
| Cp,gas | 444.95 | J/mol×K | 762.59 | Joback Calculated Property |
| Cp,gas | 458.10 | J/mol×K | 803.31 | Joback Calculated Property |
| Cp,gas | 470.86 | J/mol×K | 844.03 | Joback Calculated Property |
| Cp,gas | 483.42 | J/mol×K | 884.75 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1-(Phenylethynyl)-1-cyclopentanol.
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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