- 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
- CAS
- 100144-29-4
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : 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).
- log10WS : Log10 of Water solubility in mol/l.
- 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).
- Vc : Critical Volume (m3/kmol).
- 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 | |
| ΔfG° | 150.54 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -51.51 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 12.65 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.87 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.81 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.82 | 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 | 692.03 | K | Relay (1.0) Calculated Property |
| Tfus | 299.87 | K | Relay (1.0) Calculated Property |
| Vc | 0.410 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [288.49; 363.18] | J/mol×K | [499.67; 706.30] | 
|
| Cp,gas | 288.49 | J/mol×K | 499.67 | Joback Calculated Property |
| Cp,gas | 303.20 | J/mol×K | 534.11 | Joback Calculated Property |
| Cp,gas | 316.93 | J/mol×K | 568.55 | Joback Calculated Property |
| Cp,gas | 329.73 | J/mol×K | 602.99 | Joback Calculated Property |
| Cp,gas | 341.67 | J/mol×K | 637.43 | Joback Calculated Property |
| Cp,gas | 352.80 | J/mol×K | 671.86 | Joback Calculated Property |
| Cp,gas | 363.18 | J/mol×K | 706.30 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Cyclopentylethynylmethyl carbinol.
Sources
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