- InChI
- InChI=1S/C8H12O/c1-3-8(2,9)7-5-4-6-7/h1,7,9H,4-6H2,2H3
- InChI Key
- OOQOQWCONGHTDA-UHFFFAOYSA-N
- Formula
- C8H12O
- SMILES
- C#CC(C)(O)C1CCC1
- Molecular Weight1
- 124.18
- CAS
- 515-81-1
- 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 | 0.4579 | Relay (... Calculated Property | |
| ΔfG° | 154.22 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -19.62 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 12.16 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 62.23 | kJ/mol | Relay (... Calculated Property |
| IE | 9.67 | eV | Relay (... Calculated Property |
| log10WS | -1.39 | Relay (... Calculated Property | |
| logPoct/wat | 1.171 | Crippen Calculated Property | |
| McVol | 109.990 | ml/mol | McGowan Calculated Property |
| Pc | 4046.64 | kPa | Joback Calculated Property |
| Tboil | 436.39 | K | Relay (... Calculated Property |
| Tc | 669.13 | K | Relay (... Calculated Property |
| Tfus | 284.68 | K | Relay (... Calculated Property |
| Vc | 0.368 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [245.52; 311.17] | J/mol×K | [472.52; 674.33] | 
|
| Cp,gas | 245.52 | J/mol×K | 472.52 | Joback Calculated Property |
| Cp,gas | 258.52 | J/mol×K | 506.15 | Joback Calculated Property |
| Cp,gas | 270.62 | J/mol×K | 539.79 | Joback Calculated Property |
| Cp,gas | 281.88 | J/mol×K | 573.42 | Joback Calculated Property |
| Cp,gas | 292.35 | J/mol×K | 607.06 | Joback Calculated Property |
| Cp,gas | 302.10 | J/mol×K | 640.69 | Joback Calculated Property |
| Cp,gas | 311.17 | J/mol×K | 674.33 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Cyclobutyl ethynyl methyl carbinol.
Sources
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