- InChI
- InChI=1S/C8H12O/c1-2-8(9)6-4-3-5-7-8/h1,9H,3-7H2
- InChI Key
- QYLFHLNFIHBCPR-UHFFFAOYSA-N
- Formula
- C8H12O
- SMILES
- C#CC1(O)CCCCC1
- Molecular Weight1
- 124.18
- CAS
- 78-27-3
- Other Names
-
- (1-Hydroxycyclohexyl)ethyne
- 1-Ethynyl-1-cyclohexanol
- 1-Ethynyl-1-hydroxycyclohexane
- 1-Ethynylcyclohexan-1-ol
- 1-Ethynylcyclohexanol
- Ethynylcyclohexanol
- 1-Hydroxy-1-ethynylcyclohexane
- 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).
- Tboilr : Boiling point at reduced pressure (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfusH° | 9.08 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 65.07 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.60 | eV | NIST |
| logPoct/wat | 1.315 | Crippen Calculated Property | |
| McVol | 109.990 | ml/mol | McGowan Calculated Property |
| Tboil | 453.20 | K | NIST |
| Tfus | 305.00 ± 3.00 | K | NIST |
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.
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 347.00 | K | 1.60 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [134.46; 385.45] | 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 | -1.00910e+02 | |||
| Coefficient B | 1.11790e+00 | |||
| Coefficient C | -1.05133e-03 | |||
| Coefficient D | 4.19790e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 134.46 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 181.58 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 220.80 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 253.43 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 280.82 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 304.28 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 325.15 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 344.75 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 364.40 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 385.45 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Cyclohexanol, 1-ethynyl-.
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
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