- InChI
- InChI=1S/C7H10O/c1-2-7(8)5-3-4-6-7/h1,8H,3-6H2
- InChI Key
- LQMDOONLLAJAPZ-UHFFFAOYSA-N
- Formula
- C7H10O
- SMILES
- C#CC1(O)CCCC1
- Molecular Weight1
- 110.15
- CAS
- 17356-19-3
- Other Names
-
- 1-Ethynyl-1-cyclopentanol
- Cyclopentanol, 1-ethynyl-
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfusH° | 8.59 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 62.10 | kJ/mol | NIST |
| IE | 9.94 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 0.925 | Crippen Calculated Property | |
| McVol | 95.900 | ml/mol | McGowan Calculated Property |
| Tboil | [430.00; 430.70] | K |
|
| Tboil | 430.00 | K | NIST |
| Tboil | 430.70 | K | NIST |
| Tfus | 303.54 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation 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.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [118.14; 332.08] | 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 | -9.48800e+01 | |||
| Coefficient B | 1.03250e+00 | |||
| Coefficient C | -1.04333e-03 | |||
| Coefficient D | 4.37790e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 118.14 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 159.20 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 192.70 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 220.04 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 242.59 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 261.75 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 278.89 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 295.41 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 312.67 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 332.08 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to 1-Ethynylcyclopentanol.
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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