- InChI
- InChI=1S/C9H14O/c1-3-9(2,10)8-6-4-5-7-8/h1,8,10H,4-7H2,2H3
- InChI Key
- POUOCSXBRGBQME-UHFFFAOYSA-N
- Formula
- C9H14O
- SMILES
- C#CC(C)(O)C1CCCC1
- Molecular Weight1
- 138.21
- ω : Acentric Factor.
- 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).
- Pc : Critical Pressure (kPa).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical 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 |
|---|---|---|---|
| ω | 0.4639 | Relay (1.0) Calculated Property | |
| ΔfusH° | 12.65 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 66.28 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.81 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 1.561 | Crippen Calculated Property | |
| McVol | 124.080 | ml/mol | McGowan Calculated Property |
| Pc | 3704.46 | kPa | Joback Calculated Property |
| Tboil | 457.62 | K | Relay (1.0) Calculated Property |
| Tc | 692.75 | K | Relay (1.0) Calculated Property |
| Tfus | 295.57 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, 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 | [288.58; 363.26] | J/mol×K | [499.87; 706.59] | 
|
| Cp,gas | 288.58 | J/mol×K | 499.87 | Joback Calculated Property |
| Cp,gas | 303.29 | J/mol×K | 534.32 | Joback Calculated Property |
| Cp,gas | 317.02 | J/mol×K | 568.78 | Joback Calculated Property |
| Cp,gas | 329.82 | J/mol×K | 603.23 | Joback Calculated Property |
| Cp,gas | 341.76 | J/mol×K | 637.68 | Joback Calculated Property |
| Cp,gas | 352.89 | J/mol×K | 672.13 | Joback Calculated Property |
| Cp,gas | 363.26 | J/mol×K | 706.59 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Cyclopentylethynylmethyl carbinol.
Sources
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